On the role of lanthanum substitution defects in reducing lattice thermal conductivity of the AgSbTe2 (P4/mmm) thermoelectric compound for energy conversion applications

Computational Materials Science

Volumn 78, Issue , 2013, Pages 98-103

  Amouyal, Yaron ^a  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

Author keywords

First principles calculations; Lattice dynamics; Lead antimony silver tellurium (LAST) compounds; Thermal conductivity; Thermoelectric materials

Indexed keywords

DENSITY-OF-STATES; FIRST-PRINCIPLES CALCULATION; LANTHANUM SUBSTITUTION; LATTICE THERMAL CONDUCTIVITY; LEAD-ANTIMONY-SILVER-TELLURIUM (LAST) COMPOUNDS; THERMO-ELECTRIC MATERIALS; THERMOELECTRIC COMPOUND; THERMOELECTRIC FIGURE OF MERIT;

ANTIMONY COMPOUNDS; CALCULATIONS; DEFECTS; ENERGY CONVERSION; LATTICE VIBRATIONS; SILVER; SOLIDS; TELLURIUM COMPOUNDS; THERMAL CONDUCTIVITY; THERMOELECTRIC EQUIPMENT; THERMOELECTRICITY;

LEAD COMPOUNDS;

EID: 84879318728     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.05.027     Document Type: Article

References (49)

1. D.M. Rowe Thermoelectrics Handbook: Macro to Nano. 6000 Broken Sound Parkway NW, Suite 300 Boca Raton, FL 33487-2742 2006 Taylor & Francis Group, LLC
2. T.M. Tritt Annu. Rev. Mater. Res. 41 2011 433
3. C. Kittel Introduction to Solid State Physics sixth ed. 1986 John Wiley & Sons Inc.
4. G.J. Snyder, and E.S. Toberer Nat. Mater. 7 2008 105
5. C.B. Vining Nat. Mater. 8 2009 83
6. F.J. DiSalvo Science 285 1999 703
7. D.J. Singh, and I. Terasaki Nat. Mater. 7 2008 616
8. A. Majumdar Science 303 2004 777
9. E.S. Toberer, A. Zevalkink, and G.J. Snyder J. Mater. Chem. 21 2011 15843
10. J.Q. He, S.N. Girard, M.G. Kanatzidis, and V.P. Dravid Adv. Funct. Mater. 20 2010 764
11. J.Q. He, J.R. Sootsman, S.N. Girard, J.C. Zheng, J.G. Wen, Y.M. Zhu, M.G. Kanatzidis, and V.P. Dravid J. Am. Chem. Soc. 132 2010 8669
12. W. Kim, S.L. Singer, A. Majumdar, J.M.O. Zide, D. Klenov, A.C. Gossard, and S. Stemmer Nano Lett. 8 2008 2097
13. K.F. Hsu, S. Loo, F. Guo, W. Chen, J.S. Dyck, C. Uher, T. Hogan, E.K. Polychroniadis, and M.G. Kanatzidis Science 303 2004 818
14. M.G. Kanatzidis Chem. Mater. 22 2010 648
15. J. Dadda, E. Muller, B. Klobes, P.B. Pereira, and R. Hermann J. Electron. Mater. 41 2012 2065
16. J. Dadda, E. Muller, S. Perlt, T. Hoche, P.B. Pereira, and R.P. Hermann J. Mater. Res. 26 2011 1800
17. S. Perlt, T. Hoche, J. Dadda, E. Muller, P.B. Pereira, R. Hermann, M. Sarahan, E. Pippel, and R. Brydson J. Solid State Chem. 193 2012 58
18. B.A. Cook, M.J. Kramer, J.L. Harringa, M.K. Han, D.Y. Chung, and M.G. Kanatzidis Adv. Funct. Mater. 19 2009 1254
19. J.R. Sootsman, D.Y. Chung, and M.G. Kanatzidis Angew. Chem. Int. Ed. 48 2009 8616
20. J.D. Sugar, and D.L. Medlin J. Alloy. Compd. 478 2009 75
21. P.A. Sharma, J.D. Sugar, and D.L. Medlin J. Appl. Phys. 107 2010
22. B. Du, H. Li, J. Xu, X. Tang, and C. Uher Chem. Mater. 22 2010 5521
23. V. Jovovic, and J.P. Heremans J. Electron. Mater. 38 2009 1504
24. H. Ma, T. Su, P. Zhu, J. Guo, and X. Jia J. Alloy. Compd. 454 2008 415
25. B.K. Min, B.S. Kim, I.H. Kim, J.K. Lee, M.H. Kim, M.W. Oh, S.D. Park, and H.W. Lee Electron. Mater. Lett. 7 2011 255
26. P.B. Pereira Structure and Lattice Dynamics of Thermoelectric Complex Chalcogenides 2012 Julich Forschungszentrum, Universite de Liege
27. S.V. Barabash, V. Ozolins, and C. Wolverton Phys. Rev. Lett. 101 2008 155704
28. L.-H. Ye, K. Hoang, A.J. Freeman, S.D. Mahanti, J. He, T.M. Tritt, and M.G. Kanatzidis Phys. Rev. B 77 2008 245203
29. K. Hoang, S.D. Mahanti, J.R. Salvador, and M.G. Kanatzidis Phys. Rev. Lett. 99 2007
30. Y. Pei, J. Lensch-Falk, E.S. Toberer, D.L. Medlin, and G.J. Snyder Adv. Funct. Mater. 21 2011 241
31. Y. Takagiwa, Y. Pei, G. Pomrehn, and G.J. Snyder Appl. Phys. Lett. 101 2012 092102
32. E. Quarez, K.F. Hsu, R. Pcionek, N. Frangis, E.K. Polychroniadis, and M.G. Kanatzidis J. Am. Chem. Soc. 127 2005 9177
33. R.G. Parr, and W. Yang Density-Functional Theory of Atoms and Molecules 1989 Oxford University Press New York
34. R.M. Martin Electronic Structure - Basic Theory and Practical Methods 2004 Cambridge University Press Cambridge, UK
35. Y. Mishin, M. Asta, and J. Li Acta Mat. 58 2010 1117
36. G. Kresse, and J. Furthmuller Comput. Mater. Sci. 6 1996 15
37. G. Kresse, and J. Furthmueller Phys. Rev. B. 54 1996 11169
38. G. Kresse, and J. Hafner Phys. Rev. B. 49 1994 14251
39. MedeA v. 2.7.4, Materials Design, Inc., Angel Fire, NM, USA, 2010.
40. K. Parlinski, Z.Q. Li, and Y. Kawazoe Phys. Rev. Lett. 78 1997 4063
41. A. van de Walle, and G. Ceder Rev. Mod. Phys. 74 2002 11
42. L. Kornblum, P. Shekhter, Y. Slovatizky, Y. Amouyal, and M. Eizenberg Phys. Rev. B 86 2012 125305
43. P. Jund, R. Viennois, X. Tao, K. Niedziolka, and J.-C. Tédenac Phys. Rev. B 85 2012 224105
44. S.N. Zhang, T.J. Zhu, S.H. Yang, C. Yu, and X.B. Zhao Acta Mater. 58 2010 4160
45. L.J. Wu, J.C. Zheng, J. Zhou, Q. Li, J.H. Yang, and Y.M. Zhu J. Appl. Phys. 105 2009
46. J.R. Sootsman, D.Y. Chung, and M.G. Kanatzidis Angew. Chem. Int. Ed. 48 2009 8616
47. D.R. Gaskell Introduction to the Thermodynamics of Materials fifth ed. 2008 Taylor & Francis Group LLC. NY, USA
48. R.P. Hermann, F. Grandjean, and G.J. Long Am. J. Phys. 73 2005 110
49. D.T. Morelli, V. Jovovic, and J.P. Heremans Phys. Rev. Lett. 101 2008 035901