Low-Temperature Thermoelectric Performance and Optoelectronic Properties of Monolayer of WX2N4(X = Si, Ge)|Chayan Das,Dibyajyoti Saikia,Atanu Betal,Satyajit Sahu|WGe2N4|0.91|at|1.0|Weobtained an outstanding thermoelectric figure of merit of 0.91 at 400K forp<missing VAR>-type WGe2N4, whether it showed a ZT value of 0.56 for n<missing VAR>-type at the sametemperature.|Weobtained an outstanding thermoelectric figure of merit of 0.91 at 400K forp<missing VAR>-type WGe2N4, whether it showed a ZT value of 0.56 for n<missing VAR>-type at the sametemperature.|1
Low-Temperature Thermoelectric Performance and Optoelectronic Properties of Monolayer of WX2N4(X = Si, Ge)|Chayan Das,Dibyajyoti Saikia,Atanu Betal,Satyajit Sahu|WGe2N4|0.56|for|1.0|Weobtained an outstanding thermoelectric figure of merit of 0.91 at 400K forp<missing VAR>-type WGe2N4, whether it showed a ZT value of 0.56 for n<missing VAR>-type at the sametemperature.|Weobtained an outstanding thermoelectric figure of merit of 0.91 at 400K forp<missing VAR>-type WGe2N4, whether it showed a ZT value of 0.56 for n<missing VAR>-type at the sametemperature.|1
Enhanced thermoelectric performance in TiNiSn-based half-Heuslers|R. A. Downie,D. A. MacLaren,R. I. Smith,J. W. G. Bos|TiNiSn|0.5|,|1.0|Thermoelectric figures of merit, ZT > 0.5, have been obtained in arc-meltedTiNiSn-based ingots.|Thermoelectric figures of merit, ZT > 0.5, have been obtained in arc-meltedTiNiSn-based ingots.|0
Enhanced Figure of Merit in Bismuth-Antimony Fine-Grained Alloys at Cryogenic Temperatures|Sheng Gao,John Gaskins,Xixiao Hu,Kathleen Tomko,Patrick Hopkins,S. Joseph Poon|Bi85Sb15|0.6|at|0.36666666666666664|Herein, a high figure of merit, ZT, near 0.6 at cryogenic temperatures(100-150K) has been achieved in melt-spun n<missing VAR>-type Bi85Sb15 bulk samplesconsisting of micron-size grains.|Herein, a high figure of merit, ZT, near 0.6 at cryogenic temperatures(100-150K) has been achieved in melt-spun n<missing VAR>-type Bi85Sb15 bulk samplesconsisting of micron-size grains.|0
Enhanced Figure of Merit in Bismuth-Antimony Fine-Grained Alloys at Cryogenic Temperatures|Sheng Gao,John Gaskins,Xixiao Hu,Kathleen Tomko,Patrick Hopkins,S. Joseph Poon|Bi85Sb15|0.4|,|0.375|Herein, a high figure of merit, ZT, near 0.6 at cryogenic temperatures(100-150K) has been achieved in melt-spun n<missing VAR>-type Bi85Sb15 bulk samplesconsisting of micron-size grains.|The achieved ZT is nearly 50 percents higherthan polycrystalline averaged single crystal ZT of 0.4, and it is alsosignificantly higher than ZT of less than 0.3 measured below 150K in Bi-Tealloys commonly used for cryogenic cooling applications.|0
Homogenous $In_{x}Ga_{1-x}N$ alloys on ZnO substrates: A new approach for high performance thermoelectric materials|Yining Feng,Evan Witkoske,Bahadir Kucukgok,Yee Rui Koh,Ali Shakouri,Ian T. Ferguson,Na Lu|SiGe|0.86|,|1.0|A record high room temperaturefigure of merit zT is obtained of 0.86, which is five times larger than that ofSiGe, the current state of the art high temperature thermoelectric material.|A record high room temperaturefigure of merit zT is obtained of 0.86, which is five times larger than that ofSiGe, the current state of the art high temperature thermoelectric material.|0
Synergistic approach towards reproducible high zT in superionic thermoelectric Ag2Te|Navita Jakhar,Nita Bisht,Ankita Katre,Surjeet Singh|Ag2Te|1.2|at|0.17391304347826086|Here, we present a novelall-room-temperature route to fabricate 100% dense, nanostructured Ag2Tewith highly reproducible thermoelectric properties and a high zT of 1.2 at570K, i.e.|Here, we present a novelall-room-temperature route to fabricate 100% dense, nanostructured Ag2Tewith highly reproducible thermoelectric properties and a high zT of 1.2 at570K, i.e.|0
Thermoelectric Properties of Silicon Carbide Nanowires with Nitrogen Dopants and Vacancies|Zhuo Xu,Qing-Rong Zheng,Gang Su|SiCNW|1.78|at|0.5217391304347826|For the SiCNW with a diameter of 1.1 nm and a length of 4.6 nm, theZT value for the n<missing VAR>-type is shown capable of reaching 1.78 at 900K.|For the SiCNW with a diameter of 1.1 nm and a length of 4.6 nm, theZT value for the n<missing VAR>-type is shown capable of reaching 1.78 at 900K.|0
High intrinsic $ZT$ in InP$_3$ monolayer at room temperature|Shenghui Zhang,Xiaobin Niu,Yiqun Xie,Kui Gong,Hezhu Shao,Yibin Hu,Yin Wang|InP3|2.0|at|0.5|High intrinsic ZT in InP3 monolayer at room temperature.|Two-dimensional thermoelectric materials with a figure of merit ZT, whichis greater than 2.0 at room temperature, would be highly desirable in energyconversion since the efficiency is competitive to conventional energyconversion techniques.|0
High intrinsic $ZT$ in InP$_3$ monolayer at room temperature|Shenghui Zhang,Xiaobin Niu,Yiqun Xie,Kui Gong,Hezhu Shao,Yibin Hu,Yin Wang|(InP3)|2.2|at|1.0|Here, we propose that the indium triphosphide (InP3)monolayer offers an extraordinary ZT of 2.2 at 300 K by using quantumcalculations within the ballistic thermal transport region.|Here, we propose that the indium triphosphide (InP3)monolayer offers an extraordinary ZT of 2.2 at 300 K by using quantumcalculations within the ballistic thermal transport region.|0
High intrinsic $ZT$ in InP$_3$ monolayer at room temperature|Shenghui Zhang,Xiaobin Niu,Yiqun Xie,Kui Gong,Hezhu Shao,Yibin Hu,Yin Wang|(InP3)|1.5|can|0.05511811023622047|Here, we propose that the indium triphosphide (InP3)monolayer offers an extraordinary ZT of 2.2 at 300 K by using quantumcalculations within the ballistic thermal transport region.|Moreover, a large ZT that isgreater than 1.5 can be maintained, even if a 1% mechanic extension is appliedon the lattice.|0
Magnetic-field enhanced high-thermoelectric performance in topological Dirac semimetal Cd$_3$As$_2$ crystal|H. H. Wang,X. G. Luo,W. W. Chen,N. Z. Wang,B. Lei,F. B. Meng,C. Shang,L. K. Ma,T. Wu,X. Dai,Z. F. Wang,X. H. Chen|Cd3As2|0.17|to|0.463855421686747|The hugeenhancement of ZT by magnetic field arises from the linear Dirac band withlarge Fermi velocity and the large electric thermal conductivity inCd3As2.|ZT can be highly enhanced from 0.17 to 1.1 by more than sixtimes around 350 K under a perpendicular magnetic field of 7 Tesla.|0
Magnetic-field enhanced high-thermoelectric performance in topological Dirac semimetal Cd$_3$As$_2$ crystal|H. H. Wang,X. G. Luo,W. W. Chen,N. Z. Wang,B. Lei,F. B. Meng,C. Shang,L. K. Ma,T. Wu,X. Dai,Z. F. Wang,X. H. Chen|Cd3As2|1.1|by|0.47560975609756095|The hugeenhancement of ZT by magnetic field arises from the linear Dirac band withlarge Fermi velocity and the large electric thermal conductivity inCd3As2.|ZT can be highly enhanced from 0.17 to 1.1 by more than sixtimes around 350 K under a perpendicular magnetic field of 7 Tesla.|0
Cross-plane enhanced thermoelectricity and phonon suppression in graphene/MoS2 van der Waals heterostructures|Hatef Sadeghi,Sara Sangtarash,Colin J. Lambert|MoS2|0.3|,|0.9166666666666666|For theparent monolayer of MoS2, we find that ZT can be as high as approximately 0.3,whereas monolayer graphene has a negligibly small ZT.|For theparent monolayer of MoS2, we find that ZT can be as high as approximately 0.3,whereas monolayer graphene has a negligibly small ZT.|0
Substantial enhancement in thermoelectric figure-of-merit of half Heusler ZrNiPb alloys|Amardeep Sagar,Aman Bhardwaj,Andrei Novitskii,Vladimir Khovaylo,Satyabrata Patnaik|ZrNiPb|0.7|at|0.17857142857142858|Of particular interest isthe ZrNiPb based half Heusler (HH) alloy where an optimal value of ZT  0.7 at773 K has been achieved by co-doping Sn and Bi at Pb site.|Of particular interest isthe ZrNiPb based half Heusler (HH) alloy where an optimal value of ZT  0.7 at773 K has been achieved by co-doping Sn and Bi at Pb site.|0
Substantial enhancement in thermoelectric figure-of-merit of half Heusler ZrNiPb alloys|Amardeep Sagar,Aman Bhardwaj,Andrei Novitskii,Vladimir Khovaylo,Satyabrata Patnaik|ZrNi1+xPb0.38Sn0.6Bi0.02|1.3|in|1.0|In this work, weidentify an excellent ZT of 1.3 in ZrNi1+xPb0.38Sn0.6Bi0.02 (x<missing VAR> 0.03, at 773 K)composite alloy.|In this work, weidentify an excellent ZT of 1.3 in ZrNi1+xPb0.38Sn0.6Bi0.02 (x<missing VAR> 0.03, at 773 K)composite alloy.|0
Substantial enhancement in thermoelectric figure-of-merit of half Heusler ZrNiPb alloys|Amardeep Sagar,Aman Bhardwaj,Andrei Novitskii,Vladimir Khovaylo,Satyabrata Patnaik|ZrNi1+xPb0.38Sn0.6Bi0.02|0.03|,|1.0|In this work, weidentify an excellent ZT of 1.3 in ZrNi1+xPb0.38Sn0.6Bi0.02 (x<missing VAR> 0.03, at 773 K)composite alloy.|In this work, weidentify an excellent ZT of 1.3 in ZrNi1+xPb0.38Sn0.6Bi0.02 (x<missing VAR> 0.03, at 773 K)composite alloy.|0
Predicting the optimized thermoelectric performance of MgAgSb|C. Y. Sheng,H. J. Liu,D. D. Fan,L. Cheng,J. Zhang J. Wei,J. H. Liang,P. H. Jiang,J. Shi|MgAgSb|1.7|at|1.0|By fine tuning thecarrier concentration, the thermoelectric performance of alpha-MgAgSb can besignificantly optimized, which exhibits a strong temperature dependence andgives a maximum ZT value of 1.7 at 550 K.|By fine tuning thecarrier concentration, the thermoelectric performance of alpha-MgAgSb can besignificantly optimized, which exhibits a strong temperature dependence andgives a maximum ZT value of 1.7 at 550 K.|0
Anisotropic thermoelectric properties of EuCd$_{2}$As$_{2}$ : An Ab-initio study|Jyoti Krishna,Mukesh Sharma,T. Maitra|EuCd2As2|1.79|at|0.25|The remarkably high ZT of 1.79 at 500 K in A-AFM<missing VAR> phase and ZTsim1in NM<missing VAR> phase suggest that EuCd2As2 is a viable thermoelectric materialwhen p<missing VAR>-doped.|The remarkably high ZT of 1.79 at 500 K in A-AFM<missing VAR> phase and ZTsim1in NM<missing VAR> phase suggest that EuCd2As2 is a viable thermoelectric materialwhen p<missing VAR>-doped.|0
Optimizing thermoelectric performances of low-temperature SnSe compounds by electronic structure design|Aijun Hong,Lin Li,Haixia Zhu,Zhibo Yan,Junming Liu,Zhifeng Ren|SnSe|2.62|at|0.8484848484848485|Recently SnSe compound was reported to have a peak thermoelectric figure-5of-merit (ZT) of 2.62 at 923 K, but the ZT values at temperatures below 750 Kare relatively low.|Recently SnSe compound was reported to have a peak thermoelectric figure-5of-merit (ZT) of 2.62 at 923 K, but the ZT values at temperatures below 750 Kare relatively low.|0
Conventional Half-Heusler Alloys Advance State-of-the-Art Thermoelectric Properties|Mousumi Mitra,Allen Benton,Md Sabbir Akhanda,Jie Qi,Mona Zebarjadi,David J. Singh,S. Joseph Poon|HfZr|1.0|Recent|0.10493827160493827|Herein, we report that traditional alloying techniques applied to theconventional HfZr-based half-Heusler alloys can also lead to exceptional ZT.|These alloys canachieve a moderate dimensionless figure of merit, ZT, near 1. Recent studieshave advanced the thermoelectric performance of HH alloys by employingnanostructures and novel compositions to achieve larger ZT, reaching as high as1.5.|0
Conventional Half-Heusler Alloys Advance State-of-the-Art Thermoelectric Properties|Mousumi Mitra,Allen Benton,Md Sabbir Akhanda,Jie Qi,Mona Zebarjadi,David J. Singh,S. Joseph Poon|Hf0.3Zr0.7CoSn0.3Sb0.7|0.8|,|1.0|Specifically, we present the well-studied p<missing VAR>-type Hf0.3Zr0.7CoSn0.3Sb0.7,previously reported to have a ZT0.8, resonantly doped with less than 1 at.|Specifically, we present the well-studied p<missing VAR>-type Hf0.3Zr0.7CoSn0.3Sb0.7,previously reported to have a ZT0.8, resonantly doped with less than 1 at.|0
Conventional Half-Heusler Alloys Advance State-of-the-Art Thermoelectric Properties|Mousumi Mitra,Allen Benton,Md Sabbir Akhanda,Jie Qi,Mona Zebarjadi,David J. Singh,S. Joseph Poon|Sn/Sb|1.5|at|1.0|%metallic Al on the Sn/Sb site, touting a remarkable ZT near 1.5 at 980 K.|%metallic Al on the Sn/Sb site, touting a remarkable ZT near 1.5 at 980 K.|0
Superconducting and thermoelectric properties of new layered Superconductor Bi4O4S3|S. G. Tan,L. J. Li,Y. Liu,P. Tong,B. C. Zhao,W. J. Lu,Y. P. Sun|Bi4O4S3|0.03|at|1.0|In addition, alarge thermoelectric effect was observed with a dimensionless thermoelectricfigure of merit (ZT) of about 0.03 at 300K, indicating Bi4O4S3 can be apotential thermoelectric material.|In addition, alarge thermoelectric effect was observed with a dimensionless thermoelectricfigure of merit (ZT) of about 0.03 at 300K, indicating Bi4O4S3 can be apotential thermoelectric material.|0
Thermoelectric properties of new Bi-chalcogenide layered compounds|Yoshikazu Mizuguchi,Atsuhiro Nishida,Atsushi Omachi,Osuke Miura|LaOBiSSe|0.36|in|1.0|Recently, it was revealed that thelayered Bi chalcogenides can show a relatively high thermoelectric performance(ZT  0.36 in LaOBiSSe at 650 K).|Recently, it was revealed that thelayered Bi chalcogenides can show a relatively high thermoelectric performance(ZT  0.36 in LaOBiSSe at 650 K).|0
Anomalous transport and thermoelectric performances of CuAgSe compounds|A. J. Hong,L. Li,H. X. Zhu,X. H. Zhou,Q. Y. He,W. S. Liu,Z. B. Yan,J. M. Liu,Z. F. Ren|CuAgSe|0.95|,|1.0|The thermoelectric figure of merit zTof the polycrystalline b<missing VAR>eta-CuAgSe at 623 K is 0.95, suggesting thatsuperionic CuAgSe can be a promising thermoelectric candidate in theintermediate temperature range.|The thermoelectric figure of merit zTof the polycrystalline b<missing VAR>eta-CuAgSe at 623 K is 0.95, suggesting thatsuperionic CuAgSe can be a promising thermoelectric candidate in theintermediate temperature range.|0
Thermodynamic and Thermoelectric Properties of CoFeYGe (Y= Ti, Cr) Quaternary Heusler Alloys: First Principle Calculations|Raad Haleoot,Bothina Hamad|CoFeCrGe|0.65|were|1.0|High ZT values of0.71 and 0.65 were obtained for CoFeCrGe and CoFeTiGe, respectively.|High ZT values of0.71 and 0.65 were obtained for CoFeCrGe and CoFeTiGe, respectively.|0
Non-universal Scaling of Thermoelectric Efficiency in 3D and 2D Thermoelectric Semiconductors|Kevin Octavian,Eddwi H. Hasdeo|SiGe|0.09|,|1.0|For example, ZTvalues of 2D  rm PbTe (0.32) and 2D  rm SiGe (0.04) are smaller thantheir 3D counterparts (0.49 and 0.09, respectively).|For example, ZTvalues of 2D  rm PbTe (0.32) and 2D  rm SiGe (0.04) are smaller thantheir 3D counterparts (0.49 and 0.09, respectively).|0
Non-universal Scaling of Thermoelectric Efficiency in 3D and 2D Thermoelectric Semiconductors|Kevin Octavian,Eddwi H. Hasdeo|Bi2Se3|0.18|,|0.5909090909090909|Meanwhile, the ZT valuesof 2D rm Bi2Te3 (0.57) and 2D rm Bi2Se3 (0.43) are larger than thebulks (0.54 and 0.18, respectively), which agree with HD<missing VAR> theory.|Meanwhile, the ZT valuesof 2D rm Bi2Te3 (0.57) and 2D rm Bi2Se3 (0.43) are larger than thebulks (0.54 and 0.18, respectively), which agree with HD<missing VAR> theory.|0
Microscopic origin of the excellent thermoelectric performance in n-doped SnSe|Anderson S. Chaves,Daniel T. Larson,Efthimios Kaxiras,Alex Antonelli|SnSe|3.1|at|0.25|In the presentwork, by applying extensive first-principles calculations of electron-phononcoupling associated with the calculation of the scattering by ionizedimpurities, we investigate the reasons behind the superior figure of merit aswell as the enhancement of zT above 600 K in n<missing VAR>-doped out-of-layer SnSe, ascompared to p<missing VAR>-doped SnSe with similar carrier densities.|For the n<missing VAR>-doped case,the relaxation time is dominated by ionized impurity scattering and increaseswith temperature, a feature that maintains the power factor at high values athigher temperatures and simultaneously causes the carrier thermal conductivityat zero electric current (k<missing VAR>el) to decrease faster for higher temperatures,leading to an ultrahigh-zT  3.1 at 807 K.|0
Quaternary compounds Ag2XYSe4 (X=Ba, Sr; Y=Sn, Ge) as novel potential thermoelectric materials|A. J. Hong,C. L. Yuan,J. M. Liu|Ag2SrGeSe4|1.22|at|1.0|It is found that the ZT maximum for n<missing VAR>-type Ag2SrGeSe4 can reach upto 1.22 at 900 K, and those for p<missing VAR>-type Ag2SrSnSe4, Ag2SrGeSe4 and Ag2BaSnSe4can reach up to 1.20, 1.13 and 1.12, respectively.|It is found that the ZT maximum for n<missing VAR>-type Ag2SrGeSe4 can reach upto 1.22 at 900 K, and those for p<missing VAR>-type Ag2SrSnSe4, Ag2SrGeSe4 and Ag2BaSnSe4can reach up to 1.20, 1.13 and 1.12, respectively.|1
Quaternary compounds Ag2XYSe4 (X=Ba, Sr; Y=Sn, Ge) as novel potential thermoelectric materials|A. J. Hong,C. L. Yuan,J. M. Liu|Ag2BaSnSe4|1.2|,|1.0|It is found that the ZT maximum for n<missing VAR>-type Ag2SrGeSe4 can reach upto 1.22 at 900 K, and those for p<missing VAR>-type Ag2SrSnSe4, Ag2SrGeSe4 and Ag2BaSnSe4can reach up to 1.20, 1.13 and 1.12, respectively.|It is found that the ZT maximum for n<missing VAR>-type Ag2SrGeSe4 can reach upto 1.22 at 900 K, and those for p<missing VAR>-type Ag2SrSnSe4, Ag2SrGeSe4 and Ag2BaSnSe4can reach up to 1.20, 1.13 and 1.12, respectively.|1
Quaternary compounds Ag2XYSe4 (X=Ba, Sr; Y=Sn, Ge) as novel potential thermoelectric materials|A. J. Hong,C. L. Yuan,J. M. Liu|Ag2BaSnSe4|1.13|and|1.0|It is found that the ZT maximum for n<missing VAR>-type Ag2SrGeSe4 can reach upto 1.22 at 900 K, and those for p<missing VAR>-type Ag2SrSnSe4, Ag2SrGeSe4 and Ag2BaSnSe4can reach up to 1.20, 1.13 and 1.12, respectively.|It is found that the ZT maximum for n<missing VAR>-type Ag2SrGeSe4 can reach upto 1.22 at 900 K, and those for p<missing VAR>-type Ag2SrSnSe4, Ag2SrGeSe4 and Ag2BaSnSe4can reach up to 1.20, 1.13 and 1.12, respectively.|1
Quaternary compounds Ag2XYSe4 (X=Ba, Sr; Y=Sn, Ge) as novel potential thermoelectric materials|A. J. Hong,C. L. Yuan,J. M. Liu|Ag2BaSnSe4|1.12|,|1.0|It is found that the ZT maximum for n<missing VAR>-type Ag2SrGeSe4 can reach upto 1.22 at 900 K, and those for p<missing VAR>-type Ag2SrSnSe4, Ag2SrGeSe4 and Ag2BaSnSe4can reach up to 1.20, 1.13 and 1.12, respectively.|It is found that the ZT maximum for n<missing VAR>-type Ag2SrGeSe4 can reach upto 1.22 at 900 K, and those for p<missing VAR>-type Ag2SrSnSe4, Ag2SrGeSe4 and Ag2BaSnSe4can reach up to 1.20, 1.13 and 1.12, respectively.|1
Impressive optoelectronic and thermoelectric properties of two-dimensional XI$_2$ (X=Sn, Si): a first principle study|Atanu Betal,Jayanta Bera,Satyajit Sahu|SiI2|0.87|at|1.0|The calculated ZT product for SiI2 was 0.87 at600K.|The calculated ZT product for SiI2 was 0.87 at600K.|0
Realizing high Near-Room-Temperature Thermoelectric Performance in n-type Ag2Se through Rashba Effect and Entropy Engineering|Raju K Biswas,Swapan K Pati|Ag2Se0.5Te0.25S0.25|2.1|at|1.0|Herein, we report apseudoternary phase, Ag2Se0.5Te0.25S0.25, which shows improved thermoelectricperformance (zT  2.1 at 400 K).|Herein, we report apseudoternary phase, Ag2Se0.5Te0.25S0.25, which shows improved thermoelectricperformance (zT  2.1 at 400 K).|0
Enhancing the Figure of Merit in Te-doped FeSb2 through nanostructuring|M. Pokharel,H. Z. Zhao,M. Koirala,Z. F. Ren,C. Opeil|FeSb2|0.022|at|0.024154589371980676|Te-doping enhancesthe dimensionless figure of merit (ZT) on FeSb2 via two mechanisms.|The combined effect results in a ZT  0.022 at 100 K, an increase of62% over the ZT value for the optimized Te-doped single crystal sample.|0
Exploring the possibility of enhancing the figure-of-merit ( $>$ 2) of Na$_{0.74}$CoO$_{2}$: A combined experimental and theoretical study|Shamim Sk,Jayashree Pati,R. S. Dhaka,Sudhir K. Pandey|Na0.74CoO2|0.67|at|0.023408239700374533|Using these temperature-dependent ZT values, we have calculated the maximumpossible values of efficiency (eta) of thermoelectric generator (TEG) madeby p<missing VAR> and n<missing VAR>-type Na0.74CoO2.|The maximum calculated value of ZT is found to be sim 0.67 at 1200 K forp<missing VAR>-type conduction.|0
Exploring the possibility of enhancing the figure-of-merit ( $>$ 2) of Na$_{0.74}$CoO$_{2}$: A combined experimental and theoretical study|Shamim Sk,Jayashree Pati,R. S. Dhaka,Sudhir K. Pandey|Na0.74CoO2|2.7|at|0.5|Using these temperature-dependent ZT values, we have calculated the maximumpossible values of efficiency (eta) of thermoelectric generator (TEG) madeby p<missing VAR> and n<missing VAR>-type Na0.74CoO2.|Electron doping of sim 5.1times1020cm-3 is expected to give rise the high ZT value of sim 2.7 at 1200 K.|0
Spin-tunable thermoelectric performance in monolayer chromium pnictides|Melania S. Muntini,Edi Suprayoga,Sasfan A. Wella,Iim Fatimah,Lila Yuwana,Tosawat Seetawan,Adam B. Cahaya,Ahmad R. T. Nugraha,Eddwi H. Hasdeo|CrAs|0.22|,|1.0|Atoptimized chemical potential and operating temperature of 500 K, the maximum ZTvalues ( 0.22, 0.12, and 0.09) with the antiparallel spin-valve setup in CrAs,CrSb, and CrBi improve up to almost twice the original values (ZT  0.12, 0.08,and 0.05) without the spin-valve configuration.|Atoptimized chemical potential and operating temperature of 500 K, the maximum ZTvalues ( 0.22, 0.12, and 0.09) with the antiparallel spin-valve setup in CrAs,CrSb, and CrBi improve up to almost twice the original values (ZT  0.12, 0.08,and 0.05) without the spin-valve configuration.|1
Spin-tunable thermoelectric performance in monolayer chromium pnictides|Melania S. Muntini,Edi Suprayoga,Sasfan A. Wella,Iim Fatimah,Lila Yuwana,Tosawat Seetawan,Adam B. Cahaya,Ahmad R. T. Nugraha,Eddwi H. Hasdeo|CrAs|0.12|,|1.0|Atoptimized chemical potential and operating temperature of 500 K, the maximum ZTvalues ( 0.22, 0.12, and 0.09) with the antiparallel spin-valve setup in CrAs,CrSb, and CrBi improve up to almost twice the original values (ZT  0.12, 0.08,and 0.05) without the spin-valve configuration.|Atoptimized chemical potential and operating temperature of 500 K, the maximum ZTvalues ( 0.22, 0.12, and 0.09) with the antiparallel spin-valve setup in CrAs,CrSb, and CrBi improve up to almost twice the original values (ZT  0.12, 0.08,and 0.05) without the spin-valve configuration.|1
Spin-tunable thermoelectric performance in monolayer chromium pnictides|Melania S. Muntini,Edi Suprayoga,Sasfan A. Wella,Iim Fatimah,Lila Yuwana,Tosawat Seetawan,Adam B. Cahaya,Ahmad R. T. Nugraha,Eddwi H. Hasdeo|CrBi|0.12|,|1.0|Atoptimized chemical potential and operating temperature of 500 K, the maximum ZTvalues ( 0.22, 0.12, and 0.09) with the antiparallel spin-valve setup in CrAs,CrSb, and CrBi improve up to almost twice the original values (ZT  0.12, 0.08,and 0.05) without the spin-valve configuration.|Atoptimized chemical potential and operating temperature of 500 K, the maximum ZTvalues ( 0.22, 0.12, and 0.09) with the antiparallel spin-valve setup in CrAs,CrSb, and CrBi improve up to almost twice the original values (ZT  0.12, 0.08,and 0.05) without the spin-valve configuration.|1
Spin-tunable thermoelectric performance in monolayer chromium pnictides|Melania S. Muntini,Edi Suprayoga,Sasfan A. Wella,Iim Fatimah,Lila Yuwana,Tosawat Seetawan,Adam B. Cahaya,Ahmad R. T. Nugraha,Eddwi H. Hasdeo|CrBi|0.08|,|0.9230769230769231|Atoptimized chemical potential and operating temperature of 500 K, the maximum ZTvalues ( 0.22, 0.12, and 0.09) with the antiparallel spin-valve setup in CrAs,CrSb, and CrBi improve up to almost twice the original values (ZT  0.12, 0.08,and 0.05) without the spin-valve configuration.|Atoptimized chemical potential and operating temperature of 500 K, the maximum ZTvalues ( 0.22, 0.12, and 0.09) with the antiparallel spin-valve setup in CrAs,CrSb, and CrBi improve up to almost twice the original values (ZT  0.12, 0.08,and 0.05) without the spin-valve configuration.|1
Enhancement of thermoelectric performance in Graphene/BN heterostructures|Van-Truong Tran,Jérôme Saint Martin,Philippe Dollfus|BN|0.8|can|1.0|In combination with the large Seebeckcoefficient resulting from the BN-induced bandgap opening or broadening, it isshown that large thermoelectric figure of merit ZT > 0.8 can be reached inperfect structures at relatively low Fermi energy, depending on the graphenenanoribbon width.|In combination with the large Seebeckcoefficient resulting from the BN-induced bandgap opening or broadening, it isshown that large thermoelectric figure of merit ZT > 0.8 can be reached inperfect structures at relatively low Fermi energy, depending on the graphenenanoribbon width.|0
Enhancement of thermoelectric performance in Graphene/BN heterostructures|Van-Truong Tran,Jérôme Saint Martin,Philippe Dollfus|BN|1.48|may|0.5|In combination with the large Seebeckcoefficient resulting from the BN-induced bandgap opening or broadening, it isshown that large thermoelectric figure of merit ZT > 0.8 can be reached inperfect structures at relatively low Fermi energy, depending on the graphenenanoribbon width.|The high value ZT  1.48 may even be achieved by introducingappropriately vacancies in the channel, as a consequence of further degradationof the phonon conductance.|0
Strain-induced enhancement of thermoelectric performance in a ZrS2 monolayer|H. Y. Lv,W. J. Lu,D. F. Shao,H. Y. Lu,Y. P. Sun|ZrS2|2.4|is|1.0|At thestrain of 6%, the maximal ZT value of 2.4 is obtained for the p<missing VAR>-type doped ZrS2monolayer at 300 K, which is 4.3 times larger than that of the unstrainedsystem.|At thestrain of 6%, the maximal ZT value of 2.4 is obtained for the p<missing VAR>-type doped ZrS2monolayer at 300 K, which is 4.3 times larger than that of the unstrainedsystem.|1
Strain-induced enhancement of thermoelectric performance in a ZrS2 monolayer|H. Y. Lv,W. J. Lu,D. F. Shao,H. Y. Lu,Y. P. Sun|ZrS2|4.3|times|0.5|At thestrain of 6%, the maximal ZT value of 2.4 is obtained for the p<missing VAR>-type doped ZrS2monolayer at 300 K, which is 4.3 times larger than that of the unstrainedsystem.|At thestrain of 6%, the maximal ZT value of 2.4 is obtained for the p<missing VAR>-type doped ZrS2monolayer at 300 K, which is 4.3 times larger than that of the unstrainedsystem.|1
Electrical and Thermal transport studies of Sr and Mn co-substituted NdCoO3|Ashutosh Kumar|Nd0.95Sr0.05Co0.95Mn0.05O3|0.038|for|1.0|Simultaneous optimization of TEparameters results in improved zT sim 0.038 forNd0.95Sr0.05Co0.95Mn0.05O3 at 540 K.|Simultaneous optimization of TEparameters results in improved zT sim 0.038 forNd0.95Sr0.05Co0.95Mn0.05O3 at 540 K.|0
LaPtSb: a half-Heusler compound with high thermoelectric performance|Q. Y. Xue,H. J. Liu,D. D. Fan,L. Cheng,B. Y. Zhao,J. Shi|LaPtSb|2.2|by|1.0|Together with thevery low lattice thermal conductivity, the thermoelectric figure of merit (ZT)of LaPtSb can be optimized to a record high value of 2.2 by fine tuning thecarrier concentration.|Together with thevery low lattice thermal conductivity, the thermoelectric figure of merit (ZT)of LaPtSb can be optimized to a record high value of 2.2 by fine tuning thecarrier concentration.|0
High thermoelectric performance of half-Heusler compound BiBaK with intrinsically low lattice thermal conductivity|S. H. Han,Z. Z. Zhou,C. Y. Sheng,J. H. Liu,L. Wang,H. M. Yuan,H. J. Liu|BiBaK|1.9|at|1.0|In combination with its good electronic transportproperties, the BiBaK shows a maximum n<missing VAR>-type ZT value of 1.9 at 900 K, whichoutperforms most half-Heusler thermoelectric materials.|In combination with its good electronic transportproperties, the BiBaK shows a maximum n<missing VAR>-type ZT value of 1.9 at 900 K, whichoutperforms most half-Heusler thermoelectric materials.|0
Stability, Tunneling Characteristics and Thermoelectric Properties of TeSe2 allotropes|Munish Sharma|TeSe2|3.1|with|0.5|We show that room temperature thermoelectric figure of merit(ZT) can reach up to 3.1 with p<missing VAR>-type doping in delta-TeSe2.|We show that room temperature thermoelectric figure of merit(ZT) can reach up to 3.1 with p<missing VAR>-type doping in delta-TeSe2.|0
Enhanced Thermoelectric Properties of Dirac Semimetal Cd3As2|Tong Zhou,Cheng Zhang,Huisheng Zhang,Faxian Xiu,Zhongqin Yang|Cd3As2|0.5|at|0.29411764705882354|The optimum merit ZT ofCd3As2 with electron doping is found to be about 0.5 at T<missing VAR>700 K with n1x1020cm-3, much larger than the maximum experimental value obtained for the pristineCd3As2 (0.15).|The optimum merit ZT ofCd3As2 with electron doping is found to be about 0.5 at T<missing VAR>700 K with n1x1020cm-3, much larger than the maximum experimental value obtained for the pristineCd3As2 (0.15).|0
Enhanced Thermoelectric Properties of Dirac Semimetal Cd3As2|Tong Zhou,Cheng Zhang,Huisheng Zhang,Faxian Xiu,Zhongqin Yang|Cd3As2|0.5|obtained|1.0|For the p<missing VAR>-type Cd3As2, the maximal value of the Seebeckcoefficient as a function of temperature increases apparently with the increaseof the hole doping concentration and its position shifts drastically towardsthe lower temperature region compared to that of the n<missing VAR>-type Cd3As2, leading tothe optimum merit ZT of about 0.5 obtained at low temperature of 500K (p1x1020cm-3) in the p<missing VAR>-type Cd3As2.|For the p<missing VAR>-type Cd3As2, the maximal value of the Seebeckcoefficient as a function of temperature increases apparently with the increaseof the hole doping concentration and its position shifts drastically towardsthe lower temperature region compared to that of the n<missing VAR>-type Cd3As2, leading tothe optimum merit ZT of about 0.5 obtained at low temperature of 500K (p1x1020cm-3) in the p<missing VAR>-type Cd3As2.|0
First-principles prediction of extraordinary thermoelectric efficiency in superionic Li2SnX3(X=S,Se)|Enamul Haque,Claudio Cazorla,M. Anwar Hossain|Li2SnS3|1.05|in|1.0|As a result, we estimatea maximum zT  1.05 in p<missing VAR>-type Li2SnS3 at 700 K and an extraordinary 3.07(1.5) in n<missing VAR>-type Li2SnSe3 at the same temperature (300 K).|As a result, we estimatea maximum zT  1.05 in p<missing VAR>-type Li2SnS3 at 700 K and an extraordinary 3.07(1.5) in n<missing VAR>-type Li2SnSe3 at the same temperature (300 K).|0
Thermoelectric properties of chalcopyrite type CuGaTe$_2$ and chalcostibite CuSbS$_2$|Vijay Kumar Gudelli,V. Kanchana,G. Vaitheeswaran,A. Svane,N. E. Christensen|CuGaTe2|1.4|,|1.0|The carrier concentration- and temperature dependent thermoelectricproperties of CuGaTe2 are derived, and a figure of merit of zT 1.69 isobtained at 950 K for a hole concentration of 3.7cdot1019 cm-3, inagreement with a recent experimental finding of zT 1.4, confirming thatCuGaTe2 is a promising material for high temperature thermoelectricapplications.|The carrier concentration- and temperature dependent thermoelectricproperties of CuGaTe2 are derived, and a figure of merit of zT 1.69 isobtained at 950 K for a hole concentration of 3.7cdot1019 cm-3, inagreement with a recent experimental finding of zT 1.4, confirming thatCuGaTe2 is a promising material for high temperature thermoelectricapplications.|0
Extraordinary thermoelectric performance of ABaX compared to Bi$_2$Te$_3$|Enamul Haque|NaBaBi|1.6|at|1.0|On the other hand, the isotropic maximumZT of NaBaBi is 1.2 and 1.6 at 350K for n<missing VAR> and p<missing VAR>-type carriers, respectively.|On the other hand, the isotropic maximumZT of NaBaBi is 1.2 and 1.6 at 350K for n<missing VAR> and p<missing VAR>-type carriers, respectively.|0
High figure-of-merit in the heavy-fermion UN2 system for radioisotope thermoelectric applications|Z. Z. Zhou,D. D. Fan,H. J. Liu,J. Liu|UN2|2.2|can|0.9333333333333333|Using high-level first-principles approach combined with accurate solution ofBoltzmann transport equation, we demonstrate that a giant n<missing VAR>-type power factorof 13.8 mW/m<missing VAR>K2 and a peak ZT value of 2.2 can be realized in the heavy-fermionUN2 compound at 700 K.|Using high-level first-principles approach combined with accurate solution ofBoltzmann transport equation, we demonstrate that a giant n<missing VAR>-type power factorof 13.8 mW/m<missing VAR>K2 and a peak ZT value of 2.2 can be realized in the heavy-fermionUN2 compound at 700 K.|0
Electronic Structure and Thermoelectric Properties of Half-Heusler Alloys NiTZ|Dhurba R. Jaishi,Nileema Sharma,Bishnu Karki,Bishnu P. Belbase,Rajendra P. Adhikari,Madhav Prasad Ghimire|NiScSb|0.46|,|1.0|The value of ZT foundfor NiScP, NiScAs, and NiScSb are 0.46, 0.35, and 0.29, respectively at 1200 K.|The value of ZT foundfor NiScP, NiScAs, and NiScSb are 0.46, 0.35, and 0.29, respectively at 1200 K.|1
Electronic Structure and Thermoelectric Properties of Half-Heusler Alloys NiTZ|Dhurba R. Jaishi,Nileema Sharma,Bishnu Karki,Bishnu P. Belbase,Rajendra P. Adhikari,Madhav Prasad Ghimire|NiScSb|0.35|,|1.0|The value of ZT foundfor NiScP, NiScAs, and NiScSb are 0.46, 0.35, and 0.29, respectively at 1200 K.|The value of ZT foundfor NiScP, NiScAs, and NiScSb are 0.46, 0.35, and 0.29, respectively at 1200 K.|1
Electronic Structure and Thermoelectric Properties of Half-Heusler Alloys NiTZ|Dhurba R. Jaishi,Nileema Sharma,Bishnu Karki,Bishnu P. Belbase,Rajendra P. Adhikari,Madhav Prasad Ghimire|NiScSb|0.29|,|1.0|The value of ZT foundfor NiScP, NiScAs, and NiScSb are 0.46, 0.35, and 0.29, respectively at 1200 K.|The value of ZT foundfor NiScP, NiScAs, and NiScSb are 0.46, 0.35, and 0.29, respectively at 1200 K.|1
First-principles investigations of the electronic, magnetic and thermoelectric properties of VTiRhZ (Z= Al, Ga, In) Quaternary Heusler Alloys|Hind Alqurashi,Raad Haleoot,Bothina Hamad|VTiRhIn|0.96|,|1.0|The figure-of-merit (ZT) values of VTiRhAl,VTiRhGa, and VTiRhIn alloys were found to be 0.96, 0.88 and 0.64, respectively,which are promising for future thermoelectric applications.|The figure-of-merit (ZT) values of VTiRhAl,VTiRhGa, and VTiRhIn alloys were found to be 0.96, 0.88 and 0.64, respectively,which are promising for future thermoelectric applications.|1
First-principles investigations of the electronic, magnetic and thermoelectric properties of VTiRhZ (Z= Al, Ga, In) Quaternary Heusler Alloys|Hind Alqurashi,Raad Haleoot,Bothina Hamad|VTiRhIn|0.88|and|1.0|The figure-of-merit (ZT) values of VTiRhAl,VTiRhGa, and VTiRhIn alloys were found to be 0.96, 0.88 and 0.64, respectively,which are promising for future thermoelectric applications.|The figure-of-merit (ZT) values of VTiRhAl,VTiRhGa, and VTiRhIn alloys were found to be 0.96, 0.88 and 0.64, respectively,which are promising for future thermoelectric applications.|1
First-principles investigations of the electronic, magnetic and thermoelectric properties of VTiRhZ (Z= Al, Ga, In) Quaternary Heusler Alloys|Hind Alqurashi,Raad Haleoot,Bothina Hamad|VTiRhIn|0.64|,|1.0|The figure-of-merit (ZT) values of VTiRhAl,VTiRhGa, and VTiRhIn alloys were found to be 0.96, 0.88 and 0.64, respectively,which are promising for future thermoelectric applications.|The figure-of-merit (ZT) values of VTiRhAl,VTiRhGa, and VTiRhIn alloys were found to be 0.96, 0.88 and 0.64, respectively,which are promising for future thermoelectric applications.|1
Selective Enhancement in Phonon Scattering leads to High Thermoelectric Figure of Merit in ZnO -- Graphene Oxide Core-shell Nanohybrids|Soumya Biswas,Saurabh Singh,Shubham Singh,Shashwata Chattopadhyay,K. K. H. De Silva,M. Yoshimura,J. Mitra,Vinayak Kamble|ZnO|1.5|wt|0.3|The incorporation of 1 at% Al with 1.5 wt% RGOinto ZnO (AGZO) has been found to show significant enhancement in zT (0.52 at1100 K) which is an order of magnitude larger compared to that of bare undopedZnO.|The incorporation of 1 at% Al with 1.5 wt% RGOinto ZnO (AGZO) has been found to show significant enhancement in zT (0.52 at1100 K) which is an order of magnitude larger compared to that of bare undopedZnO.|0
Thermoelectric properties of Pr3Rh4Sn13-type Yb3Co4Ge13 and Yb3Co4Sn13 compounds|A. V. Morozkin,V. Yu. Irkhin,V. N. Nikiforov|Yb3Co4Sn13|0.006|up|1.0|The ZT parameter of Yb3Co4Sn13 compoundincreases from 0.006 up to 0.017 with increasing temperature from 240 K to 380K.|The ZT parameter of Yb3Co4Sn13 compoundincreases from 0.006 up to 0.017 with increasing temperature from 240 K to 380K.|0
Thermoelectric properties of Pr3Rh4Sn13-type Yb3Co4Ge13 and Yb3Co4Sn13 compounds|A. V. Morozkin,V. Yu. Irkhin,V. N. Nikiforov|Yb3Co4Sn13|0.017|with|1.0|The ZT parameter of Yb3Co4Sn13 compoundincreases from 0.006 up to 0.017 with increasing temperature from 240 K to 380K.|The ZT parameter of Yb3Co4Sn13 compoundincreases from 0.006 up to 0.017 with increasing temperature from 240 K to 380K.|0
Large Thermoelectric Power Factor in TiS2 Crystal with Nearly Stoichiometric Composition|H. Imai,Y. Shimakawa,Y. Kubo|TiS2|0.16|at|1.0|In spite of the large power factor, the figure of merit, ZT ofTiS2 is 0.16 at 300 K, because of relatively large thermal conductivity,68m<missing VAR>W/Kcm.|In spite of the large power factor, the figure of merit, ZT ofTiS2 is 0.16 at 300 K, because of relatively large thermal conductivity,68m<missing VAR>W/Kcm.|0
Enhanced thermoelectric performance in Ca substituted Sr3SnO|Enamul Haque,M. Anwar Hossain|Sr2CaSnO|0.6|and|0.3|The dimensionless figure of merit (ZT) for Sr2CaSnO at500 K is 0.6 and making it promising for thermoelectric applications.|The dimensionless figure of merit (ZT) for Sr2CaSnO at500 K is 0.6 and making it promising for thermoelectric applications.|0
Probing efficient n-type lanthanide dopants for Mg$_3$Sb$_2$ thermoelectrics|Jiawei Zhang,Lirong Song,Bo Brummerstedt Iversen|Mg3Sb2|1.3|with|0.45161290322580644|Experimentally, we confirm Nd and Tm as effective n<missing VAR>-type dopants forMg3Sb2 since doping with Nd and Tm shows superior thermoelectric figureof merit zT geq 1.3 with higher electron concentration than doping with Te.|Experimentally, we confirm Nd and Tm as effective n<missing VAR>-type dopants forMg3Sb2 since doping with Nd and Tm shows superior thermoelectric figureof merit zT geq 1.3 with higher electron concentration than doping with Te.|0
Probing efficient n-type lanthanide dopants for Mg$_3$Sb$_2$ thermoelectrics|Jiawei Zhang,Lirong Song,Bo Brummerstedt Iversen|Mg3.5Nd0.04Sb1.97Te0.03|1.65|and|1.0|As a result, we obtain high zTvalues of about 1.65 and 1.75 at 775 K in n<missing VAR>-typeMg3.5Nd0.04Sb1.97Te0.03 andMg3.5Tm0.03Sb1.97Te0.03, respectively, which are among thehighest values for n<missing VAR>-type Mg3Sb2 without alloying with Mg3Bi2.|As a result, we obtain high zTvalues of about 1.65 and 1.75 at 775 K in n<missing VAR>-typeMg3.5Nd0.04Sb1.97Te0.03 andMg3.5Tm0.03Sb1.97Te0.03, respectively, which are among thehighest values for n<missing VAR>-type Mg3Sb2 without alloying with Mg3Bi2.|1
Probing efficient n-type lanthanide dopants for Mg$_3$Sb$_2$ thermoelectrics|Jiawei Zhang,Lirong Song,Bo Brummerstedt Iversen|Mg3.5Nd0.04Sb1.97Te0.03|1.75|at|1.0|As a result, we obtain high zTvalues of about 1.65 and 1.75 at 775 K in n<missing VAR>-typeMg3.5Nd0.04Sb1.97Te0.03 andMg3.5Tm0.03Sb1.97Te0.03, respectively, which are among thehighest values for n<missing VAR>-type Mg3Sb2 without alloying with Mg3Bi2.|As a result, we obtain high zTvalues of about 1.65 and 1.75 at 775 K in n<missing VAR>-typeMg3.5Nd0.04Sb1.97Te0.03 andMg3.5Tm0.03Sb1.97Te0.03, respectively, which are among thehighest values for n<missing VAR>-type Mg3Sb2 without alloying with Mg3Bi2.|1
First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS|Ruiqiang Guo,Xinjiang Wang,Youdi Kuang,Baoling Huang|SnS|0.6|in|1.0|The predicted highest ZT values at 750 K are1.0 in SnSe and 0.6 in SnS along the b<missing VAR> axis for the p<missing VAR>-type doping whilethose for the n<missing VAR>-type doping reach 2.7 in SnSe and 1.5 in SnS along the aaxis, rendering them among the best bulk thermoelectric materials forlarge-scale applications.|The predicted highest ZT values at 750 K are1.0 in SnSe and 0.6 in SnS along the b<missing VAR> axis for the p<missing VAR>-type doping whilethose for the n<missing VAR>-type doping reach 2.7 in SnSe and 1.5 in SnS along the aaxis, rendering them among the best bulk thermoelectric materials forlarge-scale applications.|0
First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS|Ruiqiang Guo,Xinjiang Wang,Youdi Kuang,Baoling Huang|SnSe|2.7|in|1.0|The predicted highest ZT values at 750 K are1.0 in SnSe and 0.6 in SnS along the b<missing VAR> axis for the p<missing VAR>-type doping whilethose for the n<missing VAR>-type doping reach 2.7 in SnSe and 1.5 in SnS along the aaxis, rendering them among the best bulk thermoelectric materials forlarge-scale applications.|The predicted highest ZT values at 750 K are1.0 in SnSe and 0.6 in SnS along the b<missing VAR> axis for the p<missing VAR>-type doping whilethose for the n<missing VAR>-type doping reach 2.7 in SnSe and 1.5 in SnS along the aaxis, rendering them among the best bulk thermoelectric materials forlarge-scale applications.|1
First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS|Ruiqiang Guo,Xinjiang Wang,Youdi Kuang,Baoling Huang|SnS|1.5|in|1.0|The predicted highest ZT values at 750 K are1.0 in SnSe and 0.6 in SnS along the b<missing VAR> axis for the p<missing VAR>-type doping whilethose for the n<missing VAR>-type doping reach 2.7 in SnSe and 1.5 in SnS along the aaxis, rendering them among the best bulk thermoelectric materials forlarge-scale applications.|The predicted highest ZT values at 750 K are1.0 in SnSe and 0.6 in SnS along the b<missing VAR> axis for the p<missing VAR>-type doping whilethose for the n<missing VAR>-type doping reach 2.7 in SnSe and 1.5 in SnS along the aaxis, rendering them among the best bulk thermoelectric materials forlarge-scale applications.|1
Potential 2D thermoelectric materials ATeI (A=Sb and Bi) monolayers from a first-principles study|San-Dong Guo,Ai-Xia Zhang|SbTeI|1.11|for|1.0|It is found thatthe p<missing VAR>-type doping has more excellent thermoelectric properties than n<missing VAR>-typedoping, and at room temperature, the peak ZT can reach 1.11 for SbTeI and0.87 for BiTeI, respectively.|It is found thatthe p<missing VAR>-type doping has more excellent thermoelectric properties than n<missing VAR>-typedoping, and at room temperature, the peak ZT can reach 1.11 for SbTeI and0.87 for BiTeI, respectively.|0
Thermoelectric properties of doped small molecule organic semiconductor films|Torben Menke|BI|0.069|at|0.24324324324324326|C60 n<missing VAR>-doped by Cr2(hpp)4 or o<missing VAR>-MeO-DMBI-I arefound to be the most promising material systems with a maximum of ZTtextM<missing VAR> 0.069 at TtextM  40degC, assuming a doping-independent thermalconductivity due to phonon-based heat transport.|C60 n<missing VAR>-doped by Cr2(hpp)4 or o<missing VAR>-MeO-DMBI-I arefound to be the most promising material systems with a maximum of ZTtextM<missing VAR> 0.069 at TtextM  40degC, assuming a doping-independent thermalconductivity due to phonon-based heat transport.|0
Benefits of Carrier Pocket Anisotropy to Thermoelectric Performance: The case of $p$-type AgBiSe$_2$|David Parker,Andrew F. May,David J. Singh|AgBiSe2|1.5|in|1.0|AgBiSe2 has already exhibited a ZT value of 1.5 in ahigh-temperature disordered fcc phase, but room-temperature performance has notbeen demonstrated.|AgBiSe2 has already exhibited a ZT value of 1.5 in ahigh-temperature disordered fcc phase, but room-temperature performance has notbeen demonstrated.|0
Mechanical, optoelectronic and thermoelectric properties of half-Heusler p-type semiconductor BaAgP: A DFT investigation|F. Parvin,M. A. Hossain,M. I. Ahmed,K. Akter,A. K. M. A. Islam|BaAgP|0.44|which|1.0|The thermoelectric figure of merit,ZT of BaAgP is 0.44 which is small due to high thermal conductivity.|The thermoelectric figure of merit,ZT of BaAgP is 0.44 which is small due to high thermal conductivity.|0
Thermoelectric properties of Co, Ir, and Os-Doped FeSi Alloys: Evidence for Strong Electron-Phonon Coupling|Brian C. Sales,Olivier Delaire,Michael A. McGuire,Andrew F. May|FeSi|0.007|at|1.0|Themaximum thermoelectric figure of merit Z<missing VAR>Tmax is improved from 0.007 at 60 K forpure FeSi to ZT  0.08 at 100 K for 4% Ir doping.|Themaximum thermoelectric figure of merit Z<missing VAR>Tmax is improved from 0.007 at 60 K forpure FeSi to ZT  0.08 at 100 K for 4% Ir doping.|0
Thermoelectric properties of Co, Ir, and Os-Doped FeSi Alloys: Evidence for Strong Electron-Phonon Coupling|Brian C. Sales,Olivier Delaire,Michael A. McGuire,Andrew F. May|FeSi|0.08|at|1.0|Themaximum thermoelectric figure of merit Z<missing VAR>Tmax is improved from 0.007 at 60 K forpure FeSi to ZT  0.08 at 100 K for 4% Ir doping.|Themaximum thermoelectric figure of merit Z<missing VAR>Tmax is improved from 0.007 at 60 K forpure FeSi to ZT  0.08 at 100 K for 4% Ir doping.|0
Thermoelectric properties of AgGaTe$_2$ and related chalcopyrite structure materials|David Parker,David J. Singh|AgGaTe2|0.8|with|1.0|We present an analysis of the potential thermoelectric performance of p<missing VAR>-typeAgGaTe2, which has already shown a ZT of 0.8 with partial optimization,and observe that the same band structure features, such as a mixture of lightand heavy bands and isotropic transport, that lead to this good performance arepresent in certain other ternary chalcopyrite structure semiconductors.|We present an analysis of the potential thermoelectric performance of p<missing VAR>-typeAgGaTe2, which has already shown a ZT of 0.8 with partial optimization,and observe that the same band structure features, such as a mixture of lightand heavy bands and isotropic transport, that lead to this good performance arepresent in certain other ternary chalcopyrite structure semiconductors.|0
A comparative study of the thermoelectric performance of graphene-like BX (X= P, As, Sb) monolayers|Z. Z. Zhou,H. J. Liu,D. D. Fan,G. H. Cao|BAs|3.0|can|1.0|Accordingly, a maximum ZT values above 3.0 can be achieved in both BAs and BSbmonolayers at optimized carrier concentrations.|Accordingly, a maximum ZT values above 3.0 can be achieved in both BAs and BSbmonolayers at optimized carrier concentrations.|0
Superparamagnetic and metal-like Ru2TiGe: a propitious thermoelectric material|Sanchayita Mondal,Krishanu Ghosh,R. Ranganathan,Eric Alleno,Chandan Mazumdar|Ru2TiGe|0.025|at|0.5555555555555556|Large powerfactor as well as low thermal conductivity results in a value of ZT  0.025 at390 K for Ru2TiGe that is orders of magnitude higher than that of the otherpure Heusler alloys and point towards its high potential for practicalthermoelectric applications.|Large powerfactor as well as low thermal conductivity results in a value of ZT  0.025 at390 K for Ru2TiGe that is orders of magnitude higher than that of the otherpure Heusler alloys and point towards its high potential for practicalthermoelectric applications.|0
Significant low lattice thermal conductivity and potential high thermoelectric figure of merit in Na$_2$MgSn|Cong Wang,Y. B. Chen,Shu-Hua Yao,Jian Zhou|Na2MgSn|0.34|at|0.18518518518518517|However, we predict that the semiconducting Na2MgSn is a potentialroom-temperature thermoelectric material with a considerable ZT of 0.34 at300 K.|However, we predict that the semiconducting Na2MgSn is a potentialroom-temperature thermoelectric material with a considerable ZT of 0.34 at300 K.|0
Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2|A. F. May,M. A. McGuire,J. Ma,O. Delaire,A. Huq,D. J. Singh,W. Cai,H. Wang|YbMg2Bi2|0.4|at|1.0|The highest figureof merit (zT) is observed in YbMg2Bi2, with zT approaching 0.4 at 600K for twosamples with carrier densities of approximately 2x1018cm-3 and8x<missing VAR>1018cm-3 at room temperature.|The highest figureof merit (zT) is observed in YbMg2Bi2, with zT approaching 0.4 at 600K for twosamples with carrier densities of approximately 2x1018cm-3 and8x<missing VAR>1018cm-3 at room temperature.|0
Ultrathin GaN Nanowires: Electronic, Thermal, and Thermoelectric Properties|A. H. Davoody,E. B. Ramayya,L. N. Maurer,I. Knezevic|NW|0.2|is|0.11538461538461539|In contrast, at 1000 K, the electron mobility variesweakly with the NW thickness owing to the dominance of polar optical phononscattering and multiple subbands contributing to transport, so ZT increaseswith increasing confinement, reaching 0.8 for optimally doped 3-nm-thick NWs.|The highestroom-temperature ZT of 0.2 is achieved for 4-nm-thick NWs, while furtherdownscaling degrades it.|0
Ultrathin GaN Nanowires: Electronic, Thermal, and Thermoelectric Properties|A. H. Davoody,E. B. Ramayya,L. N. Maurer,I. Knezevic|GaN|0.8|for|0.25|The ZT of GaN NWs increases with increasing temperature beyond 1000 K, whichfurther emphasizes their suitability for high-temperature TE applications.|In contrast, at 1000 K, the electron mobility variesweakly with the NW thickness owing to the dominance of polar optical phononscattering and multiple subbands contributing to transport, so ZT increaseswith increasing confinement, reaching 0.8 for optimally doped 3-nm-thick NWs.|0
High Thermoelectric Figure of Merit by Resonant Dopant in Half-Heusler Alloys|Long Chen,Yamei Liu,Jian He,Terry M. Tritt,S. Joseph Poon|(Hf0.6Zr0.4)0.99V0.01NiSn0.995Sb0.005|1.3|near|1.0|The combination of enhanced Seebeck coefficient due to thepresence of V resonant states and the reduced thermal conductivity has led to astate-of-the-art ZT of 1.3 near 850 K in n<missing VAR>-type(Hf0.6Zr0.4)0.99V0.01NiSn0.995Sb0.005 alloys.|The combination of enhanced Seebeck coefficient due to thepresence of V resonant states and the reduced thermal conductivity has led to astate-of-the-art ZT of 1.3 near 850 K in n<missing VAR>-type(Hf0.6Zr0.4)0.99V0.01NiSn0.995Sb0.005 alloys.|0
Potential thermoelectric materials $\mathrm{CsMI_3}$ (M=Sn and Pb) in perovskite structures from the first-principles calculations|San-Dong Guo,Jian-Li Wang|CsSnI3|0.63|and|1.0|At 1000 K, the maximal figure ofmerit ZT is up to 0.63 and 0.64 for mathrmCsSnI3 and mathrmCsPbI3with scattering time tau10-14 s<missing VAR>, and the peak ZT is 0.49 and 0.41with tau10-15 s<missing VAR>.|At 1000 K, the maximal figure ofmerit ZT is up to 0.63 and 0.64 for mathrmCsSnI3 and mathrmCsPbI3with scattering time tau10-14 s<missing VAR>, and the peak ZT is 0.49 and 0.41with tau10-15 s<missing VAR>.|1
Potential thermoelectric materials $\mathrm{CsMI_3}$ (M=Sn and Pb) in perovskite structures from the first-principles calculations|San-Dong Guo,Jian-Li Wang|CsSnI3|0.64|for|1.0|At 1000 K, the maximal figure ofmerit ZT is up to 0.63 and 0.64 for mathrmCsSnI3 and mathrmCsPbI3with scattering time tau10-14 s<missing VAR>, and the peak ZT is 0.49 and 0.41with tau10-15 s<missing VAR>.|At 1000 K, the maximal figure ofmerit ZT is up to 0.63 and 0.64 for mathrmCsSnI3 and mathrmCsPbI3with scattering time tau10-14 s<missing VAR>, and the peak ZT is 0.49 and 0.41with tau10-15 s<missing VAR>.|1
Potential thermoelectric materials $\mathrm{CsMI_3}$ (M=Sn and Pb) in perovskite structures from the first-principles calculations|San-Dong Guo,Jian-Li Wang|CsPbI3|0.49|and|1.0|At 1000 K, the maximal figure ofmerit ZT is up to 0.63 and 0.64 for mathrmCsSnI3 and mathrmCsPbI3with scattering time tau10-14 s<missing VAR>, and the peak ZT is 0.49 and 0.41with tau10-15 s<missing VAR>.|At 1000 K, the maximal figure ofmerit ZT is up to 0.63 and 0.64 for mathrmCsSnI3 and mathrmCsPbI3with scattering time tau10-14 s<missing VAR>, and the peak ZT is 0.49 and 0.41with tau10-15 s<missing VAR>.|1
Thermoelectric Properties of (1-x)LaCoO$_{3.x}$La$_{0.7}$Sr$_{0.3}$MnO$_3$ Composite|Ashutosh Kumar,Karuna Kumari,B. Jayachandran,D. Sivaprahasam,Ajay D Thakur|LaCoO3.0|0.09|for|1.0|A maximum valueof 0.09 for the figure of merit (ZT) is obtained for0.95LaCoO3.0.|A maximum valueof 0.09 for the figure of merit (ZT) is obtained for0.95LaCoO3.0.|0
Effect of interface resistance on thermoelectric properties in (1-x)La$_{0.95}$Sr$_{0.05}$Co$_{0.95}$Mn$_{0.05}$O$_3$/(x)WC composite|Ashutosh Kumar,Krzysztof T. Wojciechowski|WC|0.2|is|0.5384615384615384|Amaximum zT sim 0.20 is obtained for(1-x)La0.95Sr0.05Co0.95Mn0.05O3/(x)WC composite forx<missing VAR>0.010 at 463 K.|Amaximum zT sim 0.20 is obtained for(1-x)La0.95Sr0.05Co0.95Mn0.05O3/(x)WC composite forx<missing VAR>0.010 at 463 K.|0
Dynamic doping and Cottrell atmosphere optimize the thermoelectric performance of n-type PbTe|Yuan Yu,Chongjian Zhou,Xiangzhao Zhang,Lamya Abdellaoui,Christian Doberstein,Benjamin Berkels,Bangzhi Ge,Guanjun Qiao,Christina Scheu,Matthias Wuttig,Oana Cojocaru-Mirédin,Siyuan Zhang|Bi/Ag|1.0|is|1.0|As a result of the synergy of dynamic doping and phononscattering at decorated dislocations, an average zT of 1.0 is achieved inn<missing VAR>-type Bi/Ag-codoped PbTe between 400 and 825 K.|As a result of the synergy of dynamic doping and phononscattering at decorated dislocations, an average zT of 1.0 is achieved inn<missing VAR>-type Bi/Ag-codoped PbTe between 400 and 825 K.|0
Thermoelectric properties of high-entropy rare-earth cobaltates|Ashutosh Kumar,Diana Dragoe,David Bérardan,Nita Dragoe|(LaNdPrSmEu)0.95Sr0.05CoO3|0.23|is|1.0|As a result, a maximum figure of merit (zT) of 0.23 isobtained at 350K for (LaNdPrSmEu)0.95Sr0.05CoO3, which is one ofthe highest values of zT reported at this temperature for oxide materials.|As a result, a maximum figure of merit (zT) of 0.23 isobtained at 350K for (LaNdPrSmEu)0.95Sr0.05CoO3, which is one ofthe highest values of zT reported at this temperature for oxide materials.|0
Effect of crystal field engineering and Fermi level optimization on thermoelectric properties of Ge$_{1.01}$Te: Experimental investigation and theoretical insight|Ashutosh Kumar,Preeti Bhumla,D. Sivaprahasam,Saswata Bhattacharya,Nita Dragoe|Ge0.91Ti0.02Bi0.08Te|1.75|at|0.17391304347826086|The strategies used in the present study cansignificantly increase the effective mass, optimize the carrier concentration,and decrease phonon thermal conductivity while achieving an impressive maximumzT value of 1.75 at 773,K and average zT (zTav) of 1.03 forGe0.91Ti0.02Bi0.08Te over a temperature range of 300-773,K.|The strategies used in the present study cansignificantly increase the effective mass, optimize the carrier concentration,and decrease phonon thermal conductivity while achieving an impressive maximumzT value of 1.75 at 773,K and average zT (zTav) of 1.03 forGe0.91Ti0.02Bi0.08Te over a temperature range of 300-773,K.|1
Effect of crystal field engineering and Fermi level optimization on thermoelectric properties of Ge$_{1.01}$Te: Experimental investigation and theoretical insight|Ashutosh Kumar,Preeti Bhumla,D. Sivaprahasam,Saswata Bhattacharya,Nita Dragoe|Ge0.91Ti0.02Bi0.08Te|1.03|for|1.0|The strategies used in the present study cansignificantly increase the effective mass, optimize the carrier concentration,and decrease phonon thermal conductivity while achieving an impressive maximumzT value of 1.75 at 773,K and average zT (zTav) of 1.03 forGe0.91Ti0.02Bi0.08Te over a temperature range of 300-773,K.|The strategies used in the present study cansignificantly increase the effective mass, optimize the carrier concentration,and decrease phonon thermal conductivity while achieving an impressive maximumzT value of 1.75 at 773,K and average zT (zTav) of 1.03 forGe0.91Ti0.02Bi0.08Te over a temperature range of 300-773,K.|1
Excellent Thermoelectric and Piezoelectric Properties of Differently Stacked Layers of Two-Dimensional Transition Metal Dinitride HfN2|Atanu Betal,Jayanta Bera,Satyajit Sahu|HfN2|0.8|at|0.7368421052631579|The ZT value of 0.8 at 900 K is also highest for bilayer AB stackedHfN2.|The ZT value of 0.8 at 900 K is also highest for bilayer AB stackedHfN2.|0
Double Half-Heusler Alloys X$_2$Ni$_2$InSb (X= Zr/Hf) with promising Thermoelectric Performance: Role of varying structural phases|Bhawna Sahni,Aftab Alam|Zr2Ni2InSb|2.19|,|1.0|Hf2Ni2InSb shows a reasonably high ZT value of sim 2.19, whileZr2Ni2InSb yields 2.46 at high temperature for n<missing VAR>-type conduction intetragonal phase.|Hf2Ni2InSb shows a reasonably high ZT value of sim 2.19, whileZr2Ni2InSb yields 2.46 at high temperature for n<missing VAR>-type conduction intetragonal phase.|1
Double Half-Heusler Alloys X$_2$Ni$_2$InSb (X= Zr/Hf) with promising Thermoelectric Performance: Role of varying structural phases|Bhawna Sahni,Aftab Alam|Zr2Ni2InSb|2.46|at|1.0|Hf2Ni2InSb shows a reasonably high ZT value of sim 2.19, whileZr2Ni2InSb yields 2.46 at high temperature for n<missing VAR>-type conduction intetragonal phase.|Hf2Ni2InSb shows a reasonably high ZT value of sim 2.19, whileZr2Ni2InSb yields 2.46 at high temperature for n<missing VAR>-type conduction intetragonal phase.|1
Double Half-Heusler Alloys X$_2$Ni$_2$InSb (X= Zr/Hf) with promising Thermoelectric Performance: Role of varying structural phases|Bhawna Sahni,Aftab Alam|Zr2Ni2InSb|1.35|and|0.049019607843137254|Hf2Ni2InSb shows a reasonably high ZT value of sim 2.19, whileZr2Ni2InSb yields 2.46 at high temperature for n<missing VAR>-type conduction intetragonal phase.|The ZT value for p<missing VAR>-type conduction is also quite promising(sim 1.35 and sim 2.19 for Hf- and Zr-based compounds).|1
Double Half-Heusler Alloys X$_2$Ni$_2$InSb (X= Zr/Hf) with promising Thermoelectric Performance: Role of varying structural phases|Bhawna Sahni,Aftab Alam|Zr2Ni2InSb|2.19|for|0.018518518518518517|Hf2Ni2InSb shows a reasonably high ZT value of sim 2.19, whileZr2Ni2InSb yields 2.46 at high temperature for n<missing VAR>-type conduction intetragonal phase.|The ZT value for p<missing VAR>-type conduction is also quite promising(sim 1.35 and sim 2.19 for Hf- and Zr-based compounds).|1
Unexpectedly High Cross-plane Thermoelectric Performance in Layered Carbon Nitrides|Zhidong Ding,Meng An,Shenqiu Mo,Xiaoxiang Yu,Zelin Jin,Yuxuan Liao,Jingtao Lü,Kevian Esfarjani,Junichiro Shiomi,Nuo Yang|PCN|0.52|at|1.0|Through first-principles calculations andclassical molecular dynamics simulations, we find that A-A stacked PCN hasunexpectedly high cross-plane ZT up to 0.52 at 300 K, which can contribute ton<missing VAR>-type TE groups.|Through first-principles calculations andclassical molecular dynamics simulations, we find that A-A stacked PCN hasunexpectedly high cross-plane ZT up to 0.52 at 300 K, which can contribute ton<missing VAR>-type TE groups.|0
Thermoelectric and lattice dynamics properties of layered MX (M = Sn, Pb; X = S, Te) compounds|Abhiyan Pandit,Bothina Hamad|SnS|1.04|,|1.0|The maximum figure of merits (ZT) of 1.04, 1.46, 1.51 and 1.94are predicted for n<missing VAR>-type SnS, SnTe, PBS and p<missing VAR>-type PbTe monolayers respectivelyat 700 K, which are higher than their bulk ZT values.|The maximum figure of merits (ZT) of 1.04, 1.46, 1.51 and 1.94are predicted for n<missing VAR>-type SnS, SnTe, PBS and p<missing VAR>-type PbTe monolayers respectivelyat 700 K, which are higher than their bulk ZT values.|1
Thermoelectric and lattice dynamics properties of layered MX (M = Sn, Pb; X = S, Te) compounds|Abhiyan Pandit,Bothina Hamad|SnS|1.46|,|1.0|The maximum figure of merits (ZT) of 1.04, 1.46, 1.51 and 1.94are predicted for n<missing VAR>-type SnS, SnTe, PBS and p<missing VAR>-type PbTe monolayers respectivelyat 700 K, which are higher than their bulk ZT values.|The maximum figure of merits (ZT) of 1.04, 1.46, 1.51 and 1.94are predicted for n<missing VAR>-type SnS, SnTe, PBS and p<missing VAR>-type PbTe monolayers respectivelyat 700 K, which are higher than their bulk ZT values.|1
Thermoelectric and lattice dynamics properties of layered MX (M = Sn, Pb; X = S, Te) compounds|Abhiyan Pandit,Bothina Hamad|SnS|1.51|and|1.0|The maximum figure of merits (ZT) of 1.04, 1.46, 1.51 and 1.94are predicted for n<missing VAR>-type SnS, SnTe, PBS and p<missing VAR>-type PbTe monolayers respectivelyat 700 K, which are higher than their bulk ZT values.|The maximum figure of merits (ZT) of 1.04, 1.46, 1.51 and 1.94are predicted for n<missing VAR>-type SnS, SnTe, PBS and p<missing VAR>-type PbTe monolayers respectivelyat 700 K, which are higher than their bulk ZT values.|1
Effect of Bi-substitution on Structural Stability and Improved Thermoelectric Performance of p-type Half-Heusler TaSbRu: A First-principles Study|Enamul Haque,Mostafizur Rahman,Parvin Sultana|TaSbRu|1.54|in|1.0|have predicted a high ZT of 1.54 in TaSbRu alloys at1200 K from first-principles without considering spin-orbit interaction,accurate electronic structure, details of phonon scattering, andenergy-dependent holes relaxation time.|have predicted a high ZT of 1.54 in TaSbRu alloys at1200 K from first-principles without considering spin-orbit interaction,accurate electronic structure, details of phonon scattering, andenergy-dependent holes relaxation time.|0
Thermoelectric properties of Sb doped AlFe$_2$B$_2$|Duraisamy Sivaprahasam,Ashutosh Kumar,Babu Jayachandran,Raghavan Gopalan|Al1.2Fe2B2|0.03|at|0.13793103448275862|The pristine Al1.2Fe2B2 exhibitsn<missing VAR>-type conductivity with a maximum figure of merit (zT) of 0.03 at 773,K.|The pristine Al1.2Fe2B2 exhibitsn<missing VAR>-type conductivity with a maximum figure of merit (zT) of 0.03 at 773,K.|0
Thermoelectric properties of Sb doped AlFe$_2$B$_2$|Duraisamy Sivaprahasam,Ashutosh Kumar,Babu Jayachandran,Raghavan Gopalan|Al1.2Fe2B2|0.056|at|0.19047619047619047|The 0.1at% Sb doping at the Fe site results in improved zT of 0.056 at 773,K inspite of its limited dissolution in Al1.2Fe2B2 and forms FeSb2secondary phase.|The 0.1at% Sb doping at the Fe site results in improved zT of 0.056 at 773,K inspite of its limited dissolution in Al1.2Fe2B2 and forms FeSb2secondary phase.|0
The role of ionized impurity scattering on the thermoelectric performances of rock salt AgPbmSnSe2+m|Lin Pan,Sunanda Mitra,Li-Dong Zhao,Yawei Shen,Yifeng Wang,Claudia Felser,David Berardan|SnSe2+m|1.3|at|1.0|Therefore,ZT of AgPbmSnSe2+m (m<missing VAR>  50) reaches 1.3 at 889 K.|Therefore,ZT of AgPbmSnSe2+m (m<missing VAR>  50) reaches 1.3 at 889 K.|0
Ultralow Thermal Conductivity and Large Figure of Merit in Low-Cost and Nontoxic Core-Shell Cu@Cu2O Nanocomposites|Vikash Sharma,Gunadhor Singh Okram,Divya Verma,Niranjan Prasad Lalla,Yung-Kang Kuo|PbTe|0.16|at|0.8484848484848485|They show ultralow thermal conductivity of nearly 10-3of copper bulk value, large thermopower 0.373 m<missing VAR>VK-1, and consequently, a TEfigure of merit (ZT) of 0.16 at 320 K which is larger than those of many of thepotential TE materials such as PbTe, SnSe and SiGe, showing its potential forTE applications.|They show ultralow thermal conductivity of nearly 10-3of copper bulk value, large thermopower 0.373 m<missing VAR>VK-1, and consequently, a TEfigure of merit (ZT) of 0.16 at 320 K which is larger than those of many of thepotential TE materials such as PbTe, SnSe and SiGe, showing its potential forTE applications.|0
Enhanced thermoelectric figure-of-merit in boron-doped SiGe thin films by nanograin boundaries|Jianbiao Lu,Ruiqiang Guo,Weijing Dai,Baoling Huang|SiGe|0.2|for|1.0|By optimizing the growth conditions and doping level, ahigh figure of merit (ZT) of 0.2 for SiGe films is achieved at 300 K, which isabout 100% higher than the previous record for p<missing VAR>-type SiGe alloys, mainly dueto the significant reduction in the in-plane thermal conductivity caused bynanograin boundaries.|By optimizing the growth conditions and doping level, ahigh figure of merit (ZT) of 0.2 for SiGe films is achieved at 300 K, which isabout 100% higher than the previous record for p<missing VAR>-type SiGe alloys, mainly dueto the significant reduction in the in-plane thermal conductivity caused bynanograin boundaries.|0
Lattice thermal transport in group II-alloyed PbTe|Yi Xia,James M. Hodges,Mercouri G. Kanatzidis,Maria K. Y. Chan|PbTe|2.0|when|0.21951219512195122|PbTe, one of the most promising thermoelectric materials, has recentlydemonstrated thermoelectric figure of merit (ZT) of above 2.0 when alloyedwith group II elements.|PbTe, one of the most promising thermoelectric materials, has recentlydemonstrated thermoelectric figure of merit (ZT) of above 2.0 when alloyedwith group II elements.|0
High thermoelectric performances in PbP monolayers considering full electron-phonon coupling and four-phonon scattering processes|Ao Wu,Yiming Zhang,Yujie Xia,Lei Peng,Heyuan Zhu,Hezhu Shao,Hao Zhang|PbP|0.9|,|1.0|By considering full E<missing VAR>PI effectand high-order phonon scattering processes, the calculated ZT values reach0.90, 0.24 and 1.25 for alpha-, beta- and gamma-PbP, repectively,indicating their promising applications in thermoelectric devices.|By considering full E<missing VAR>PI effectand high-order phonon scattering processes, the calculated ZT values reach0.90, 0.24 and 1.25 for alpha-, beta- and gamma-PbP, repectively,indicating their promising applications in thermoelectric devices.|1
High thermoelectric performances in PbP monolayers considering full electron-phonon coupling and four-phonon scattering processes|Ao Wu,Yiming Zhang,Yujie Xia,Lei Peng,Heyuan Zhu,Hezhu Shao,Hao Zhang|PbP|0.24|and|1.0|By considering full E<missing VAR>PI effectand high-order phonon scattering processes, the calculated ZT values reach0.90, 0.24 and 1.25 for alpha-, beta- and gamma-PbP, repectively,indicating their promising applications in thermoelectric devices.|By considering full E<missing VAR>PI effectand high-order phonon scattering processes, the calculated ZT values reach0.90, 0.24 and 1.25 for alpha-, beta- and gamma-PbP, repectively,indicating their promising applications in thermoelectric devices.|1
High thermoelectric performances in PbP monolayers considering full electron-phonon coupling and four-phonon scattering processes|Ao Wu,Yiming Zhang,Yujie Xia,Lei Peng,Heyuan Zhu,Hezhu Shao,Hao Zhang|PbP|1.25|for|1.0|By considering full E<missing VAR>PI effectand high-order phonon scattering processes, the calculated ZT values reach0.90, 0.24 and 1.25 for alpha-, beta- and gamma-PbP, repectively,indicating their promising applications in thermoelectric devices.|By considering full E<missing VAR>PI effectand high-order phonon scattering processes, the calculated ZT values reach0.90, 0.24 and 1.25 for alpha-, beta- and gamma-PbP, repectively,indicating their promising applications in thermoelectric devices.|1
Vacancy-Ordered Double Perovskites Cs$_2$BI$_6$ (B = Pt, Pd, Te, Sn): An Emerging Class of Thermoelectric Materials|Preeti Bhumla,Manjari Jain,Sajjan Sheoran,Saswata Bhattacharya|Cs2SnI6|0.88|,|1.0|Also, the computed average thermoelectricfigure of merit (zT) for Cs2PtI6, Cs2PdI6, Cs2TeI6 andCs2SnI6 are 0.88, 0.85, 0.95 and 0.78, respectively, which reveals theirpromising renewable energy applications.|Also, the computed average thermoelectricfigure of merit (zT) for Cs2PtI6, Cs2PdI6, Cs2TeI6 andCs2SnI6 are 0.88, 0.85, 0.95 and 0.78, respectively, which reveals theirpromising renewable energy applications.|1
Vacancy-Ordered Double Perovskites Cs$_2$BI$_6$ (B = Pt, Pd, Te, Sn): An Emerging Class of Thermoelectric Materials|Preeti Bhumla,Manjari Jain,Sajjan Sheoran,Saswata Bhattacharya|Cs2SnI6|0.85|,|1.0|Also, the computed average thermoelectricfigure of merit (zT) for Cs2PtI6, Cs2PdI6, Cs2TeI6 andCs2SnI6 are 0.88, 0.85, 0.95 and 0.78, respectively, which reveals theirpromising renewable energy applications.|Also, the computed average thermoelectricfigure of merit (zT) for Cs2PtI6, Cs2PdI6, Cs2TeI6 andCs2SnI6 are 0.88, 0.85, 0.95 and 0.78, respectively, which reveals theirpromising renewable energy applications.|1
Vacancy-Ordered Double Perovskites Cs$_2$BI$_6$ (B = Pt, Pd, Te, Sn): An Emerging Class of Thermoelectric Materials|Preeti Bhumla,Manjari Jain,Sajjan Sheoran,Saswata Bhattacharya|Cs2SnI6|0.95|and|1.0|Also, the computed average thermoelectricfigure of merit (zT) for Cs2PtI6, Cs2PdI6, Cs2TeI6 andCs2SnI6 are 0.88, 0.85, 0.95 and 0.78, respectively, which reveals theirpromising renewable energy applications.|Also, the computed average thermoelectricfigure of merit (zT) for Cs2PtI6, Cs2PdI6, Cs2TeI6 andCs2SnI6 are 0.88, 0.85, 0.95 and 0.78, respectively, which reveals theirpromising renewable energy applications.|1
Vacancy-Ordered Double Perovskites Cs$_2$BI$_6$ (B = Pt, Pd, Te, Sn): An Emerging Class of Thermoelectric Materials|Preeti Bhumla,Manjari Jain,Sajjan Sheoran,Saswata Bhattacharya|Cs2SnI6|0.78|,|1.0|Also, the computed average thermoelectricfigure of merit (zT) for Cs2PtI6, Cs2PdI6, Cs2TeI6 andCs2SnI6 are 0.88, 0.85, 0.95 and 0.78, respectively, which reveals theirpromising renewable energy applications.|Also, the computed average thermoelectricfigure of merit (zT) for Cs2PtI6, Cs2PdI6, Cs2TeI6 andCs2SnI6 are 0.88, 0.85, 0.95 and 0.78, respectively, which reveals theirpromising renewable energy applications.|1
Thermoelectric properties, efficiency and thermal expansion of ZrNiSn half-Heusler by first-principles calculations|Shivprasad S. Shastri,Sudhir K. Pandey|ZrNiSn|0.7|,|1.0|The maximum figure of merit ZT calculated at 1200 Kfor n<missing VAR>-type and p<missing VAR>-type ZrNiSn are sim0.6 and sim0.7, respectively.|The maximum figure of merit ZT calculated at 1200 Kfor n<missing VAR>-type and p<missing VAR>-type ZrNiSn are sim0.6 and sim0.7, respectively.|0
Hinge-like structure induced unusual properties of black phosphorus and new strategies to improve the thermoelectric performance|Guangzhao Qin,Qing-Bo Yan,Zhenzhen Qin,Sheng-Ying Yue,Hui-Juan Cui,Qing-Rong Zheng,Gang Su|BP|0.72|at|0.6666666666666666|The maximal figure of merit ZT of BP is found to be 0.72 at800,mathrmK that could be enhanced to 0.87 by exerting an appropriatestrain, revealing BP could be a potential medium-high temperature TE material.|The maximal figure of merit ZT of BP is found to be 0.72 at800,mathrmK that could be enhanced to 0.87 by exerting an appropriatestrain, revealing BP could be a potential medium-high temperature TE material.|1
Hinge-like structure induced unusual properties of black phosphorus and new strategies to improve the thermoelectric performance|Guangzhao Qin,Qing-Bo Yan,Zhenzhen Qin,Sheng-Ying Yue,Hui-Juan Cui,Qing-Rong Zheng,Gang Su|BP|0.87|by|0.7857142857142857|The maximal figure of merit ZT of BP is found to be 0.72 at800,mathrmK that could be enhanced to 0.87 by exerting an appropriatestrain, revealing BP could be a potential medium-high temperature TE material.|The maximal figure of merit ZT of BP is found to be 0.72 at800,mathrmK that could be enhanced to 0.87 by exerting an appropriatestrain, revealing BP could be a potential medium-high temperature TE material.|1
New two-dimensional phase of tin chalcogenides: candidates for high-performance thermoelectric materials|Baojuan Dong,Zhenhai Wang,Nguyen T. Hung,Artem R. Oganov,Teng Yang,Riichiro Saito,Zhidong Zhang|SnTe|3.81|for|0.5|High thermoelectronic(TE) performance has been achieved in the beta-SnX<missing VAR> phases, which havedimensionless figure of merit (ZT) as high as sim0.96 to 3.81 for SnTe,sim0.93 to 2.51 for SnSe and sim1.19 to 3.18 for SnS at temperatureranging from 300 K to 900 K with practically attainable carrier concentrationof 5times1012 cm-2.|High thermoelectronic(TE) performance has been achieved in the beta-SnX<missing VAR> phases, which havedimensionless figure of merit (ZT) as high as sim0.96 to 3.81 for SnTe,sim0.93 to 2.51 for SnSe and sim1.19 to 3.18 for SnS at temperatureranging from 300 K to 900 K with practically attainable carrier concentrationof 5times1012 cm-2.|1
New two-dimensional phase of tin chalcogenides: candidates for high-performance thermoelectric materials|Baojuan Dong,Zhenhai Wang,Nguyen T. Hung,Artem R. Oganov,Teng Yang,Riichiro Saito,Zhidong Zhang|SnSe|2.51|for|1.0|High thermoelectronic(TE) performance has been achieved in the beta-SnX<missing VAR> phases, which havedimensionless figure of merit (ZT) as high as sim0.96 to 3.81 for SnTe,sim0.93 to 2.51 for SnSe and sim1.19 to 3.18 for SnS at temperatureranging from 300 K to 900 K with practically attainable carrier concentrationof 5times1012 cm-2.|High thermoelectronic(TE) performance has been achieved in the beta-SnX<missing VAR> phases, which havedimensionless figure of merit (ZT) as high as sim0.96 to 3.81 for SnTe,sim0.93 to 2.51 for SnSe and sim1.19 to 3.18 for SnS at temperatureranging from 300 K to 900 K with practically attainable carrier concentrationof 5times1012 cm-2.|1
New two-dimensional phase of tin chalcogenides: candidates for high-performance thermoelectric materials|Baojuan Dong,Zhenhai Wang,Nguyen T. Hung,Artem R. Oganov,Teng Yang,Riichiro Saito,Zhidong Zhang|SnS|3.18|for|0.5|High thermoelectronic(TE) performance has been achieved in the beta-SnX<missing VAR> phases, which havedimensionless figure of merit (ZT) as high as sim0.96 to 3.81 for SnTe,sim0.93 to 2.51 for SnSe and sim1.19 to 3.18 for SnS at temperatureranging from 300 K to 900 K with practically attainable carrier concentrationof 5times1012 cm-2.|High thermoelectronic(TE) performance has been achieved in the beta-SnX<missing VAR> phases, which havedimensionless figure of merit (ZT) as high as sim0.96 to 3.81 for SnTe,sim0.93 to 2.51 for SnSe and sim1.19 to 3.18 for SnS at temperatureranging from 300 K to 900 K with practically attainable carrier concentrationof 5times1012 cm-2.|1
Ultralow Thermal Conductivity and Thermoelectric Properties of Bi4GeTe7 with an Intrinsic van der Waal Heterostructure|Niraj Kumar Singh,Ankit Kashyap,Ajay Soni|Bi4GeTe7|0.24|,|1.0|Thus, being a poor thermal conductor with a TE figure ofmerit, ZT  0.24, at 380 K, the Bi4GeTe7 is a good material for TEapplications.|Thus, being a poor thermal conductor with a TE figure ofmerit, ZT  0.24, at 380 K, the Bi4GeTe7 is a good material for TEapplications.|0
Band degeneracy, resonant level formation and low thermal conductivity in dilute In and Ga co-doped thermoelectric compound SnTe|Gaurav Jamwal,Ankit Kumar,Mohd Warish,Shruti Chakravarty,Saravanan Muthiah,Asokan Kandasami,Asad Niazi|SnTe|0.34|at|1.0|The enhanced power factor and lowlattice thermal conductivity on doping resulted in a maximum figure of merit ZT 0.34 at 773 K, twice that of the pristine SnTe.|The enhanced power factor and lowlattice thermal conductivity on doping resulted in a maximum figure of merit ZT 0.34 at 773 K, twice that of the pristine SnTe.|0
Synergistic effect of workfunction and acoustic impedance mismatch for improved thermoelectric performance in GeTe/WC composite|Ashutosh Kumar,Preeti Bhumla,Artur Kosonowski,Karol Wolski,Szczepan Zapotoczny,Saswata Bhattacharya,Krzysztof Wojciechowski|WC|1.93|at|1.0|The simultaneous effect of enhancedalpha2sigma and reduced kappaph results in a maximum figure of merit(zT) of 1.93 at 773K for (1-z)Ge0.87Mn0.05Sb0.08Te/(z)WC composite havingz<missing VAR>0.010.|The simultaneous effect of enhancedalpha2sigma and reduced kappaph results in a maximum figure of merit(zT) of 1.93 at 773K for (1-z)Ge0.87Mn0.05Sb0.08Te/(z)WC composite havingz<missing VAR>0.010.|0
