First-principles study of native point defects in ZnO

Physical Review B - Condensed Matter and Materials Physics

Volumn 61, Issue 22, 2000, Pages 15019-15027

  Kohan, A ^a   Ceder, G ^a   Morgan, D ^a   Van de Walle, Chris G ^b  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b PALO ALTO RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001649616     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.61.15019     Document Type: Article

References (61)

1. T. K. Gupta, J. Am. Ceram. Soc. 73, 1817 (1990).
2. K. Vanheusden, W. L. Warren, C. H. Seager, D. R. Tallant, J. A. Voight, and B. E. Gnade, J. Appl. Phys. 79, 7983 (1996).
3. F.-C. Lin, Y. Takao, Y. Shimizu, and M. Egashira, J. Am. Ceram. Soc. 78, 2301 (1995).
4. K. L. Chopra and S. R. Das, Thin Film Solar Cells (Plenum, New York, 1983).
5. K. L. Chopra, S. Major, and D. K. Pandya, Thin Solid Films 102, 1 (1983).
6. F. Hamdani, A. E. Botchkarev, H. Tang, W. Kim, and H. Morkoç, Appl. Phys. Lett. 71, 3111 (1997).
7. T. Detchprohm, K. Hiramatsu, H. Amano, and I. Akasaki, Appl. Phys. Lett. 61, 2688 (1992).
8. D. C. Reynolds, D. C. Look, and B. Jogai, Solid State Commun. 99, 873 (1996).
9. D. M. Bagnall, Y. F. Chen, Z. Zhu, T. Yao, S. Koyama, M. Y. Shen, and T. Goto, Appl. Phys. Lett. 70, 2230 (1997).
10. M. H. Sukkar and H. L. Tuller, in Advances in Ceramics, edited by M. F. Yan and A. H. Heuer (American Ceramic Society, Columbus, 1982), Vol. 7, p. 71.
11. G. D. Mahan, J. Appl. Phys. 54, 3825 (1983).
12. K. I. Hagemark, J. Solid State Chem. 16, 293 (1976).
13. J. S. Choi and C. H. Yo, J. Phys. Chem. Solids 37, 1149 (1976).
14. A. W. Sleight and R. Wang, in Solid-State Chemistry of Inorganic Materials, edited by P. K. Davies, A. J. Jacobson, C. C. Torardi, and T. A. Vanderah MRS Symposia Proceedings No. 453 (Materials Research Society, Pittsburgh, 1997), pp. 323-330.
15. J. W. Hoffman and I. Lauder, Trans. Faraday Soc. 66, 2346 (1970).
16. E. Ziegler, A. Heinrich, H. Oppermann, and G. Stover, Phys. Status Solidi A 66, 635 (1981).
17. T. Kamiya, J. Phys. Chem. Solids 44, 365 (1983).
18. J. E. Jaffe and A. C. Hess, Phys. Rev. B 48, 7903 (1993).
19. C. K. Yang and K. S. Dy, Solid State Commun. 88, 491 (1993).
20. Y. N. Xu and W. Y. Ching, Phys. Rev. B 48, 4335 (1993).
21. P. Schröer, P. Krüger, and J. Pollmann, Phys. Rev. B 47, 6971 (1993).
22. A. Dal Corso, M. Posternak, R. Resta, and A. Baldereschi, Phys. Rev. B 50, 10 715 (1994).
23. D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B 52, 14316 (1995).
24. S. Massidda, R. Resta, M. Posternak, and A. Baldereschi, Phys. Rev. B 52, 16977 (1995).
25. M. H. Sukkar, K. H. Johnson, and H. L. Tuller, Mater. Sci. Eng., B 6, 49 (1990).
26. W. C. Mackrodt, R. F. Stewart, J. C. Campbell, and I. H. Hillier, J. Phys. (Paris), Colloq. 41, 64 (1980).
27. F. A. Kröger and H. J. Vink, J. Chem. Phys. 22, 250 (1954).
28. P. H. Kasai, Phys. Rev. 130, 989 (1963).
29. K. Vanheusden, C. H. Seager, W. L. Warren, D. R. Tallant, and J. A. Voigt, Appl. Phys. Lett. 68, 403 (1996).
30. H. J. Egelhaaf and D. Oelkrug, J. Cryst. Growth 161, 190 (1996).
31. M. Liu, A. H. Kitai, and P. Mascher, J. Lumin. 54, 35 (1992).
32. V. F. I and G. A. Konivalow, Zh. Eksp. Teor. Fiz. 23, 712 (1952).
33. E. G. Bylander, J. Appl. Phys. 49, 1188 (1978).
34. D. C. Reynolds, D. C. Look, B. Jogai, and H. Morkoç, Solid State Commun. 101, 643 (1997).
35. R. Dingle, Phys. Rev. Lett. 23, 579 (1969).
36. W. Lehman, J. Electrochem. Soc. 115, 538 (1968).
37. D. B. Laks, C. G. Van de Walle, G. F. Neumark, P. E. Blochl, and S. T. Pantelides, Phys. Rev. B 45, 10 965 (1992).
38. C. G. Van de Walle, D. B. Laks, G. F. Neumark, and S. T. Pantelides, Phys. Rev. B 47, 9425 (1993).
39. G. A. Baraff and M. Schlüter, Phys. Rev. B 30, 1853 (1984).
40. S. T. Pantelides, Rev. Mod. Phys. 50, 797 (1978).
41. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
42. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
43. R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989).
44. A. F. Kohan and G. Ceder, Comput. Mater. Sci. 8, 142 (1997).
45. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
46. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
47. M. C. Payne, M. P. Jeter, D. C. Allan, T. A. Arras, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
48. F. Gygi, Europhys. Lett. 19, 617 (1992).
49. A. F. Kohan and G. Ceder, Phys. Rev. B 54, 805 (1996).
50. K. Cho, T. A. Arias, J. D. Joannopoulos, and P. K. Lam, Phys. Rev. Lett. 71, 1808 (1993).
51. H. T. Stokes, L. L. Boyer, and M. J. Mehl, Phys. Rev. B 54, 7729 (1996).
52. I. M. Torrens, Interatomic Potentials (Academic, New York, 1972).
53. G. V. Lewis and C. R. A. Catlow, J. Phys. C 18, 1149 (1985).
54. W. D. Kingery, H. K. Bowen, and D. R. Uhlmann, Introduction to Ceramics (Wiley, New York, 1975).
55. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
56. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
57. D. R. Lide, Handbook of Chemistry and Physics, 78 ed. (CRC, Boca Raton, 1997).
58. J. A. Dean, Lange’s Handbook of Chemistry, (Formula presented)ed. (McGraw-Hill, New York, 1992).
59. L. Kleinman, Phys. Rev. B 24, 7412 (1981).
60. R. B. Lauer, J. Phys. Chem. Solids 34, 249 (1973).
61. J. Neugebauer and Chris G. Van de Walle, Appl. Phys. Lett. 69, 503 (1996).