Density-functional study of the electronic structure and optical properties of transparent conducting oxides In4Sn3O12and In4Ge3O12

Journal of Electronic Materials

Volumn 40, Issue 7, 2011, Pages 1501-1505

  Zhang, Yun Geng ^a   Wang, Yuan Xu ^a  

^a HENAN UNIVERSITY   (China)

Author keywords

Density functional theory; Electronic structure; Optical properties; Transparent conducting oxides

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; GERMANIUM; OPTICAL PROPERTIES; TIN;

BAND-GAP SEMICONDUCTORS; CONDUCTION-BAND MINIMUM; DENSITY-FUNCTIONAL STUDY; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; PROJECTOR AUGMENTED WAVES; TRANSPARENT CONDUCTING OXIDE;

DENSITY FUNCTIONAL THEORY;

EID: 85027919870     PISSN: 03615235     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11664-011-1642-9     Document Type: Article

References (33)

1. I. Hamberg and C.G. Granqvist, J. Appl. Phys. 60, R123 (1986).
2. J.C.C. Fan and F.J. Bachner, J. Electrochem. Soc. 122, 1719 (1975).
3. W.J. Heward and D.J. Swenson, J. Mater. Sci. 42, 7135 (2007).
4. R. Mientus and K. Ellmer, Surf. Coat. Technol. 142-144, 748 (2001).
5. N.C. Pramanik, S. Das, and P.K. Biswas, Mater. Lett. 56, 671 (2002).
6. H.N. Cui, V. Teixeira, and A. Monteiro, Vacuum 67, 589 (2002).
7. S.Y. Lee and B.O. Park, Thin Solid Films 484, 184 (2005).
8. A. Seko, K. Yuge, F. Oba, A. Kuwabara, and I. Tanaka, Phys. Rev. B 73, 184117 (2006).
9. D.R. Kammler, T.O. Mason, and K.R. Poeppelmeier, J. Am. Ceram. Soc. 84, 1004 (2001).
10. M. Orita, H. Tanji, M. Mizuno, H. Adachi, and I. Tanaka, Phys. Rev. B 61, 1811 (2000).
11. S.H. Wei and S.B. Zhang, Phys. Rev. B 63, 045112 (2001).
12. D.D. Edwards and T.O. Mason, J. Am. Ceram. Soc. 81, 3285 (1998).
13. T. Minami, J. Vac. Sci. Techol. A 17, 1765 (1999).
14. J.L. Bates, C.W. Griffin, D.D. Marchant, and J.E. Garnier, Am. Ceram. Soc. Bull. 65, 673 (1986).
15. Y. Ohya, T. Ito, M. Kaneko, T. Ban, and Y. Takahashi, J. Ceram. Soc. Jpn. 108, 803 (2000).
16. N. Nadaud, N. Lequeux, M. Nanot, J. Jové , and T. Roisnel, J. Solid State Chem. 135, 140 (1998).
17. G.B. González, J.S. Okasinski, T.O. Mason, T. Buslaps, and V. Honkimaäki, J. Appl. Phys. 104, 043520 (2008).
18. C.Y. Ren, S.H. Chiou, and J. Choisnet, J. Appl. Phys. 99, 023706 (2006).
19. D.H. O'Neil, A. Walsh, R.M.J. Jacobs, V.L. Kuznetsov, R.G. Egdell, and P.P. Edwards, Phys. Rev. B 81, 085110 (2010).
20. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
21. B. Adolph, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 63, 125108 (2001).
22. P.E. Blöchl, Phys. Rev. B 50, 17953 (1994).
23. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
24. W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).
25. B. Hammer, L.B. Hansen, and J.K. Nørskov, Phys. Rev. B 59, 7413 (1999).
26. H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13,5188 (1976).
27. J.D. Pack and H.J. Monkhorst, Phys. Rev. B 16, 1748 (1977).
28. W.A. Harrison, Phys. Rev. B 31, 2121 (1985).
29. D.H. O'Neil, V.L. Kuznetsov, R.M.J. Jacobs, M.O. Jones, and P.P. Edwards, Mater. Chem. Phys. 123, 52 (2010).
30. J. Choisnet, L. Bizo, M. Allix, M. Rosseinsky, and B. Raveau, J. Solid State Chem. 180, 1002 (2007).
31. P. Hass, F. Tran, and P. Blaha, Phys. Rev. B 79, 085104 (2009).
32. C.R. Stanek, C. Jiang, B.P. Uberuaga, and K.E. Sickafus, Phys. Rev. B 80, 174101 (2009).
33. M. Gajdoš, K. Hummer, G. Kresse, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 73, 045112 (2006).