| Yang L, Chen Z G, Dargusch M S and Zou J 2018 Advanced Energy Materials 8 1701797 |
| Biswas K, He J, Blum I D, Wu C I, Hogan T P, Seidman D N, Dravid V P and Kanatzidis M G 2012 Nature 489 414 |
| Heremans J P, Jovovic V, Toberer E S, Saramat A, Kurosaki K, Charoenphakdee A, Yamanaka S and Snyder G J 2008 Science 321 554 |
| Sootsman J R, Chung D Y and Kanatzidis M G 2009 Angewandte Chemie International Edition 48 8616 |
| Bruzzone S and Fiori G 2011 Appl. Phys. Lett. 99 222108 |
| Christensen M, Abrahamsen A B, Christensen N B, Juranyi F, Andersen N H, Lefmann K, Andreasson J, Bahl C R and Iversen B B 2008 Nat. Mater. 7 811 |
| Chu S, Cui Y and Liu N 2017 Nat. Mater. 16 16 |
| Zhao L D, Lo S H, Zhang Y, Sun H, Tan G, Uher C, Wolverton C, Dravid V P and Kanatzidis M G 2014 Nature 508 373 |
| Pei Y, Wang H and Snyder G J 2012 Adv. Mater. 24 6125 |
| Liu W, Tan X, Yin K, Liu H, Tang X, Shi J, Zhang Q and Uher C 2012 Phys. Rev. Lett. 108 166601 |
| Jia T, Carrete J, Madsen G K, Zhang Y and Wei S H 2022 Phys. Rev. B 105 245203 |
| Nissimagoudar A S, Rashid Z, Ma J and Li W 2020 Inorganic Chemistry 59 14899 |
| Skoug E J and Morelli D T 2011 Phys. Rev. Lett. 107 235901 |
| Jia P Z, Mo Z X, Deng L Q, Zhang Y, Yu X, Zeng Y J, Deng Y X and Xie Z X 2024 Diamond and Related Materials 141 110609 |
| Poudel B, Hao Q, Ma Y, Lan Y, Minnich A, Yu B, Yan X, Wang D, Muto A, Vashaee D, et al. 2008 Science 320 634 |
| Jiang J H, Lu S and Chen J 2023 Chin. Phys. Lett. 40 096301 |
| He J, Yu C, Lu S, Zhang Z and Chen J 2024 Appl. Phys. Lett. 124 022201 |
| Zeng Y J, Liu Y Y, Zhou W X and Chen K Q 2018 Chin. Phys. B 27 036304 |
| Jonson M and Mahan G 1980 Phys. Rev. B 21 4223 |
| Broido D A, Malorny M, Birner G, Mingo N and Stewart D A 2007 Appl. Phys. Lett. 91 231922 |
| Feng Z, Jia T, Zhang J, Wang Y and Zhang Y 2017 Phys. Rev. B 96 235205 |
| He J, Hu Y, Li D and Chen J 2022 Nano Research 15 3804 |
| Sales B, Mandrus D and Williams R K 1996 Science 272 1325 |
| Ding Z K, Zeng Y J, Pan H, Luo N, Zeng J, Tang L M and Chen K Q 2022 Phys. Rev. B 106 L121401 |
| He R, Wang D, Luo N, Zeng J, Chen K Q and Tang L M 2023 Phys. Rev. Lett. 130 046401 |
| Pan H, Tang L M and Chen K Q 2022 Phys. Rev. B 105 064401 |
| Pan H, Ding Z K, Zeng B W, Luo N N, Zeng J, Tang L M and Chen K Q 2023 Phys. Rev. B 107 104303 |
| Wang Y, Luo N, Zeng J, Tang L M and Chen K Q 2023 Phys. Rev. B 108 054401 |
| Ding Z K, Zeng Y J, Liu W, Tang L M and Chen K Q 2024 Advanced Functional Materials 2401684 |
| Liu W, Ding Z K, Luo N, Zeng J, Tang L M and Chen K Q 2024 Phys. Rev. B 109 115422 |
| Xiao Y, Chang C, Pei Y, Wu D, Peng K, Zhou X, Gong S, He J, Zhang Y, Zeng Z, et al. 2016 Phys. Rev. B 94 125203 |
| Ye X, Feng Z, Zhang Y, Zhao G and Singh D J 2022 Phys. Rev. B 105 104309 |
| Yang R, Yue S, Quan Y and Liao B 2021 Phys. Rev. B 103 184302 |
| Patel A, Singh D, Sonvane Y, Thakor P and Ahuja R 2020 ACS Applied Materials & Interfaces 12 46212 |
| Tao W L, Lan J Q, Hu C E, Cheng Y, Zhu J and Geng H Y 2020 J. Appl. Phys. 127 035101 |
| Tang S, Bai S, Wu M, Luo D, Zhang J, Wang D, Yang S and Zhao L D 2022 Materials Today Physics 29 100923 |
| Geng J, Zhang P, Tang Z and Ouyang T 2024 Chin. Phys. B 33 046501 |
| Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169 |
| Stratmann R E, Scuseria G E and Frisch M J 1998 The Journal of Chemical Physics 109 8218 |
| Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865 |
| Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188 |
| Kresse G and Joubert D 1999 Phys. Rev. B 59 1758 |
| Heyd J, Scuseria G E and Ernzerhof M 2003 The Journal of Chemical Physics 118 8207 |
| Tuckerman M E, Ungar P J, Von Rosenvinge T and Klein M L 1996 The Journal of Physical Chemistry 100 12878 |
| Togo A 2023 J. Phys. Soc. Jpn. 92 012001 |
| Togo A, Chaput L, Tadano T and Tanaka I 2023 J. Phys.: Condens. Matter 35 353001 |
| Carrete J, Li W, Lindsay L, Broido D A, Gallego L J and Mingo N 2016 Mater. Res. Lett. 4 204 |
| Brorsson J, Hashemi A, Fan Z, Fransson E, Eriksson F, Ala-Nissila T, Krasheninnikov A V, Komsa H P and Erhart P 2022 Advanced Theory and Simulations 5 2100217 |
| Eriksson F, Fransson E and Erhart P 2019 Advanced Theory and Simulations 2 1800184 |
| Errea I, Calandra M and Mauri F 2014 Phys. Rev. B 89 064302 |
| Li W, Carrete J, Katcho N A and Mingo N 2014 Computer Physics Communications 185 1747 |
| Madsen G K, Carrete J and Verstraete M J 2018 Computer Physics Communications 231 140 |
| Du G, Li C and Cheng L 2023 Phys. Rev. B 107 085422 |
| Xiao W H, Zeng B, Ding Z K, Pan H, Liu W W, Li Q Q, Yang K, Luo N, Zeng J, Chen K Q and Tang L M 2023 Appl. Phys. Lett. 123 013101 |
| Zhu X L, Liu P F, Zhang J, Zhang P, Zhou W X, Xie G and Wang B T 2019 Nanoscale 11 19923 |
| Vu T V, Hieu N N, Lavrentyev A, Khyzhun O, Lanh C V, Kartamyshev A, Phuc H V and Hieu N V 2022 RSC advances 12 7973 |
| Bernard J E and Zunger A 1987 Phys. Rev. B 36 3199 |
| Liao H, Huang L, Xie X, Dong H, Wu F, Sun Z and Li J 2023 Chin. Phys. B 32 107304 |
| Wang Q H, Kalantar-Zadeh K, Kis A, Coleman J N and Strano M S 2012 Nat. Nanotechnol. 7 699 |
| Singh A K and Hennig R G 2014 Appl. Phys. Lett. 105 042103 |
| Liu P F, Bo T, Xu J, Yin W, Zhang J, Wang F, Eriksson O and Wang B T 2018 Phys. Rev. B 98 235426 |
| Yao H, Chen C, Cao F, Mao J, Liu X, Zhang Q and Lin X 2023 Phys. Rev. B 108 195206 |
| Liu W, Xie Y, Yuan J and Chen Y 2022 Nanoscale 14 8797 |
| Jin Z, Liao Q, Fang H, Liu Z, Liu W, Ding Z, Luo T and Yang N 2015 Scientific Reports 5 18342 |
| Shafique A and Shin Y H 2017 Scientific Reports 7 506 |
| Julian C L 1965 Phys. Rev. 137 A128 |
| Chang C and Zhao L D 2018 Materials Today Physics 4 50 |
| Roufosse M and Klemens P 1973 Phys. Rev. B 7 5379 |
| Wang H, Qin G, Li G, Wang Q and Hu M 2018 2D Materials 5 015022 |
| Jia T, Liu X, Zhang Y and Wei S H 2023 Phys. Rev. B 107 115204 |
| Morelli D T, Jovovic V and Heremans J P 2008 Phys. Rev. Lett. 101 035901 |
| Slack G A 1973 Journal of Physics and Chemistry of Solids 34 321 |
| Broido D, Ward A and Mingo N 2005 Phys. Rev. B 72 014308 |
| Zhang D, Hu S, Sun Y, Liu X, Wang H, Wang H, Chen Y and Ni Y 2020 ES Energy & Environment 10 59-65 |
| Chen Z, Zhang X and Pei Y 2018 Adv. Mater. 30 1705617 |
| Zhou S, Liu C C, Zhao J and Yao Y 2018 npj Quantum Materials 3 16 |
| Lei S, Wang X, Li B, Kang J, He Y, George A, Ge L, Gong Y, Dong P, Jin Z, et al. 2016 Nat. Nanotechnol. 11 465 |
| Zhang L, Du M H and Singh D J 2010 Phys. Rev. B 81 075117 |
| Kümar S and Schwingenschlogl U 2016 Phys. Rev. B 94 035405 |
| Graziosi P, Li Z and Neophytou N 2022 Appl. Phys. Lett. 120 072102 |
| Gong J, Hong A, Shuai J, Li L, Yan Z, Ren Z and Liu J M 2016 Physical Chemistry Chemical Physics 18 16566 |
| Zhao L D, Tan G, Hao S, He J, Pei Y, Chi H, Wang H, Gong S, Xu H, Dravid V P, et al. 2016 Science 351 141 |