Cation vacancies in the alloy compounds of Cu2ZnSn(S 1 - XSex)4 and CuIn(S1 - XSe x)2

Thin Solid Films

Volumn 535, Issue 1, 2013, Pages 318-321

  Kumar, Mukesh ^a   Zhao, Hanyue ^a   Persson, Clas ^a,b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

Cu2ZnSnS4; Cu2ZnSnSe4; CuInS2; CuInSe2; Density functional theory; Formation energy; Solar cells; Vacancies

Indexed keywords

ALLOY COMPOSITIONS; CUINS2; CUINSE2; FIRST-PRINCIPLES STUDY; FORMATION ENERGIES; GENERALIZED GRADIENT APPROXIMATIONS; SUPERCELL APPROACH; VACANCY FORMATION ENERGIES;

ALLOYS; COPPER ALLOYS; DENSITY FUNCTIONAL THEORY; POSITIVE IONS; SOLAR CELLS; TIN; TIN ALLOYS; VACANCIES; ZINC;

COPPER COMPOUNDS;

EID: 84878168820     PISSN: 00406090     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tsf.2012.11.063     Document Type: Conference Paper

References (33)

1. S. Siebentritt, M. Igalson, C. Persson, and S. Lany Prog. Photovolt: Res. Appl. 18 2010 390
2. K. Ito, and T. Nakazawa Jpn. J. Appl. Phys., Part 1 27 1988 2094
3. H. Katagiri, N. Ishigaki, T. Ishida, and K. Saito Jpn. J. Appl. Phys., Part 1 40 2001 500
4. K. Jimbo, R. Kimura, T. Kamimura, S. Yamada, W.S. Maw, H. Araki, K. Oishi, and H. Katagiri Thin Solid Films 515 2007 5997
5. H. Katagiri, K. Jimbo, S. Yamada, T. Kamimura, W.S. Maw, T. Fukano, T. Ito, and T. Motohiro Appl. Phys. Express 1 2008 041201
6. A. Ennaoui, M. Lux-Steiner, A. Weber, D. Abou-Ras, I. Kötschau, H.-W. Schock, R. Schurr, A. Hölzing, S. Jost, R. Hock, T. Voß, J. Schulze, and A. Kirbs Thin Solid Films 517 2009 2511
7. T.K. Todorov, K.B. Reuter, and D.B. Mitzi Adv. Mater. 22 2010 E156
8. H. Katagiri, K. Saitoh, T. Washio, H. Shinohara, T. Kurumadani, and S. Miyajima Sol. Energy Mater. Sol. Cells 65 2001 141
9. R. Haight, A. Barkhouse, O. Gunawan, B. Shin, M. Copel, M. Hopstaken, and D.B. Mitzi Appl. Phys. Lett. 98 2011 253502
10. J. He, L. Sun, S. Chen, Y. Chen, P. Yang, and J. Chu J. Alloys Compd. 511 2012 129
11. T.K. Todorov, J. Tang, S. Bag, O. Gunawan, T. Gokmen, Y. Zhu, and D.B. Mitzi Adv. Mater. 2012 10.1002/aenm.201200348
12. H. Matsushita, T. Maeda, A. Katsui, and T. Takizawa J. Cryst. Growth 208 2000 416
13. J.J. Scragg, P.J. Dale, and L.M. Peter Electrochem. Commun. 10 2008 639
14. J.-S. Seol, S.-Y. Lee, J.-C. Lee, H.-D. Nam, and K.-H. Kim Sol. Energy Mater. Sol. Cells 75 2003 155
15. T. Tanaka, T. Nagatomo, D. Kawasaki, M. Nishio, Q. Guo, A. Wakahara, A. Yoshida, and H. Ogawa J. Phys. Chem. Solids 66 2005 1978
16. S. Chen, X.G. Gong, A. Walsh, and S.H. Wei Appl. Phys. Lett. 94 2009 041903
17. C. Persson J. Appl. Phys. 107 2010 053710
18. J. Paier, R. Asahi, A. Nagoya, and G. Kresse Phys. Rev. B 79 2009 115126
19. S. Botti, D. Kammerlander, and M.A.L. Marques Appl. Phys. Lett. 98 2011 241915
20. S. Chen, X.G. Gong, A. Walsh, and S.H. Wei Appl. Phys. Lett. 96 2010 021902
21. S. Chen, J.H. Yang, X.G. Gong, A. Walsh, and S.H. Wei Phys. Rev. B 81 2010 245204
22. A. Nagoya, R. Asahi, R. Wahl, and G. Kresse Phys. Rev. B 81 2010 113202
23. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
24. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
25. P.E. Blöchl Phys. Rev. B 50 1994 17953
26. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Phys. Rev. B 46 1992 6671
27. J. Heyd, G.E. Scuseria, and M. Ernzerhof J. Chem. Phys. 118 2003 8207
28. B. Tell, J.L. Shay, and H.M. Kasper Phys. Rev. B 4 1971 2463
29. J.L. Shay, B. Bell, H.M. Kasper, and L.M. Schiavone Phys. Rev. B 5 1972 5003
30. J. Pohl, and K. Albe J. Appl. Phys. 108 2010 023509
31. S.B. Zhang, S.H. Wei, A. Zunger, and H.K. Yoshida Phys. Rev. B 57 1998 9642
32. C. Persson, Y.J. Zhao, S. Lany, and A. Zunger Phys. Rev. B 72 2005 035211
33. T. Maeda, S. Nakamura, and T. Wada Thin Solid Films 519 2011 7513