Optoelectronic and transport properties of Zintl phase KBa 2Cd2Sb3 compound

Computational Materials Science

Volumn 95, Issue , 2014, Pages 328-336

  Khan, Saleem Ayaz ^a   Reshak, A H ^a,b  

^a UNIVERSITY OF WEST BOHEMIA   (Czech Republic)

^b UNIVERSITY MALAYSIA PERLIS   (Malaysia)

Author keywords

Electronic structure; Optical properties; Seebeck coefficient; Thermoelectric properties

Indexed keywords

ANISOTROPY; ELECTRIC POWER FACTOR; ELECTRONIC STRUCTURE; ENERGY DISSIPATION; OPTICAL PROPERTIES; OPTOELECTRONIC DEVICES; REFRACTIVE INDEX; SEEBECK COEFFICIENT; TRANSPORT PROPERTIES;

ABSORPTION CO-EFFICIENT; COMPLEX DIELECTRIC FUNCTIONS; DIELECTRIC FUNCTIONS; ENERGY LOSS FUNCTION; FULL POTENTIAL LINEAR AUGMENTED PLANE WAVES; SPECTRAL COMPONENTS; THERMOELECTRIC APPLICATION; THERMOELECTRIC PROPERTIES; ZINTL PHASE;

ANTIMONY COMPOUNDS; ELECTRONIC STRUCTURE;

EID: 84906535118     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.07.031     Document Type: Article

References (55)

1. M.S. Dresselhaus, Gang Chen, Ming Y. Tang, Ronggui Yang, Hohyun Lee, Dezhi Wang, Zhifeng Ren, Jean-Pierre Fleurial, and Pawan Gogna Adv. Mater. 19 2007 1043 1053
2. G. Jeffrey, and Snyder1 & Eric S Toberer Nat. Mater. 7 2008 105 114
3. G.S. Nolas, J. Poon, and M. Kanatzidis Mater. Res. Soc. Bull. 31 2006 199 205
4. C. Uher, in: T. Tritt (Ed.), Thermoelectric Materials Research I, Semiconductors and Semimetals Series 69, Elsevier, 2001, pp. 139-253.
5. S.M. Kauzlarich, S.R. Brown, and G.J. Snyder Dalton Trans. 2007 2099 2107
6. E. Zintl Angew. Chem. 52 1939 1 6
7. R. Nesper Prog. Solid State Chem. 20 1990 1 45
8. S.M. Kauzlarich Chemistry, Structure, and Bonding of Zintl Phases and Ions 1996 VCH Publishers New York
9. J.D. Corbett Angew. Chem., Int. Ed. 39 2000 670 690
10. B. Saprov, M. Broda, K.V. Ramanujachary, and S. Bobev Polyhedron 29 2010 456 462
11. J.D. Corbett Chem. Rev. 85 1985 383 393
12. Z. Downie, A.M. Tang, and Guloy Angew. Chem., Int. Ed. 39 2000 337 340
13. T.F. Faessler Coord. Chem. Rev. 215 2001 377-377
14. B. Kesanli, J. Fettinger, D.R. Gardner, and B. Eichhorn J. Am. Chem. Soc. 124 2002 4779 4786
15. S.C. Sevov, and J.M. Goicoechea Organometallics 25 2006 5678 5692
16. D. Sun, A.E. Riley, A.J. Cadby, E.K. Richman, S.D. Korlann, and S.H. Tolbert Nature 441 2006 1126 1130
17. G.J. Snyder, and E.S. Toberer Nat. Mater. 7 2008 105 114
18. S.M. Kauzlarich, S.R. Brown, and G.J. Snyder Dalton Trans. 21 2007 2099 2107
19. S.R. Brown, S.M. Kauzlarich, F. Gascoin, and G.J. Snyder Chem. Mater. 18 2006 1873 1877
20. E.S. Toberer, C.A. Cox, S.R. Brown, T. Ikeda, A.F. May, S.M. Kauzlarich, and G.J. Snyder Adv. Funct. Mater. 18 2008 2795 2800
21. F. Gascoin, S. Ottensmann, D. Stark, S.M. Haile, and G.J. Snyder Adv. Funct. Mater. 15 2005 1860 1864
22. S. Bobev, J.D. Thompson, J.L. Sarrao, M.M. Olmstead, H. Hope, and S.M. Kauzlarich Inorg. Chem. 43 2004 5044 5052
23. S.Q. Xia, and S. Bobev J. Am. Chem. Soc. 129 2007 10011 10018
24. B. Saparov, S. Bobev, A. Ozbay, and E.R. Nowak J. Solid State Chem. 181 2008 2690 2696
25. S.Q. Xia, and S. Bobev Inorg. Chem. 47 2008 1919 1921
26. B. Saparov, S.Q. Xia, and S. Bobev Inorg. Chem. 47 2008 11237 11244
27. S.Q. Xia, and S. Bobev J. Am. Chem. Soc. 129 2007 4049 4057
28. U. Von Barth, and L. Hedin J. Phys. C 5 1972 1629 1642
29. J. Singh, Optical Properties of Condensed Matter and Applications, John Wiley & Sons, England, ISBN-13 978-0-470-02192-7 (HB), 2006.
30. S. Gao Comput. Phys. Commun. 153 2003 190 198
31. K. Schwarz J. Solid State Chem. 176 2003 319 328
32. P. Balaha, K. Shewartz, G.K.H. Madsen, D. Kvsnicka, J. Luitz, WIEN2K, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystals Properties, Karlheinz Schewartz, Techn. Universitat, Wien, Austria, ISBN 3-9501031-1-2, 2001.
33. D.M. Ceperley, and B.I. Alder Phys. Rev. Lett. 45 1980 566 569
34. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865 3868
35. E. Engel, and S.H. Voskov Phys. Rev. B 47 1993 13164 13174
36. Z. Charifi, H. Baaziz, and A.H. Reshak Phys. Status Solidi (b) 244 2007 3154 3167
37. A.H. Reshak, Z. Charifi, and H. Baaziz Eur. Phys. J. B. 60 2007 463 468
38. A.H. Reshak, and S.A. Khan Compos. Mater. Sci. 78 2013 91 97
39. R. Hoffman Rev. Mod. Phys. 60 1988 601 628
40. C.D. Gellatt, A.R. Willaims, and V.L. Moruzzi Phys. Rev. B 27 1983 2005 2013
41. S.A. Khan, and A.H. Reshak Int. J. Electrochem. Sci. 8 2013 9459 9473
42. A. Delin, P. Ravindran, O. Eriksson, and J.M. Wills Int. J. Quantum Chem. 69 1998 349 358
43. H. Tributsch A. Naturforsch. 32A 1977 972
44. A.H. Reshak, Xuean Chen, S. Auluck, and I.V. Kityk J. Chem. Phys. 129 2008 204111 204118
45. M.S. Dresselhaus, Solid State Physics Part 11, Opt. Prop. Solids (2001).
46. D.R. Penn Phys. Rev. B. 128 1962 2093 2097
47. L. Marton Rev. Mod. Phys. 28 1956 172 184
48. K.C. Barron, Thesis for Bachelor degree Submitted to Department of Mechanical Engineering Massachusetts Institute of Technology (MIT), 2005.
49. G.K.H. Madsen, and D.J. Singh Comput. Phys. Commun. 175 2006 67 71
50. P. Hua, W. Chun Lei, L. Ji Chao, Z. Rui-Zhi, W. Hong Chao, and S. Yi Chin. Phys. B. 20 No. 4 2011 0461031 0461035
51. D. Wang, L. Tang, M.Q. Long, and Z.G. Shuai J. Chem. Phys. 131 2009 224704 224709
52. J.M. Clemens Lasance, Issue: November 2006. < http://www.electronics- cooling.com/2006/11/the-seebeck-coefficient/ >.
53. D. Vashaee, and A. Shakouri J. Appl. Phys. 95 2004 1233 1245
54. M.I. Kolinko, I.V. Kityk, and A.S. Krochuk J. Phys. Chem. Solids. 53 1992 1315 1320
55. J. Li, J. Sui, Y. Pei, C. Barreteau, D. Berardan, N. Dragoe, W. Cai, J. He, and L. Zhao Energy Environ. Sci. 5 2012 8543 8547