First-principles calculations of the thermodynamic and structural properties of strained and alloys

Physical Review B - Condensed Matter and Materials Physics

Volumn 62, Issue 4, 2000, Pages 2475-2485

  Teles, L ^a   Furthmuller J ^a   Scolfaro, L ^a   Leite, J ^a   Bechstedt, F ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000659614     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.62.2475     Document Type: Article

References (58)

1. S. Nakamura and G. Fasol, The Blue Laser Diode (Springer, Berlin, 1997).
2. M.A. Khan, J.N. Kuznia, D.T. Olson, W.J. Schaff, J.W. Burm, and M. Shur, Appl. Phys. Lett. 65, 1121 (1994).
3. Data in Science and Technology: Semiconductors, edited by O. Madelung (Springer-Verlag, Berlin, 1991).
4. I. Ho and G.B. Stringfellow, Appl. Phys. Lett. 69, 2701 (1996).
5. I. HoG.B. StringfellowJ. Cryst. Growth 178, 1 (1997).
6. M. van Schilfgaarde, A. Sher, and A.-B. Chen, J. Cryst. Growth 178, 8 (1997).
7. T. Matsuoka, Appl. Phys. Lett. 71, 105 (1997).
8. V.A. Elyukhin and S.A. Nikishin, Semicond. Sci. Technol. 11, 917 (1996).
9. E.A. Albanesi, W.R.L. Lambrecht, and B. Segall, Phys. Rev. B 48, 17 841 (1993).
10. R. Singh, D. Doppalapudi, T.D. Moustakas, and L.T. Romano, Appl. Phys. Lett. 70, 1089 (1997).
11. C. Kisielowski, Z. Liliental-Weber, and S. Nakamura, Jpn. J. Appl. Phys. 36, 6932 (1997).
12. M.D. McCluskey, L.T. Romano, B.S. Krusor, D.P. Bour, N.M. Johnson, and S. Brennan, Appl. Phys. Lett. 72, 1730 (1998).
13. B. Neubauer, A. Rosenauer, D. Gerthsen, O. Ambacher, M. Stutzmann, M. Albrecht, and H.P. Strunk, Mater. Sci. Eng., B 59, 182 (1999).
14. B. Neubauer, A. Rosenauer, D. Gerthsen, O. Ambacher, and M. Stutzmann, Appl. Phys. Lett. 73, 930 (1998).
15. N.A. El-Masry, E.L. Piner, S.X. Liu, and S.M. Bedair, Appl. Phys. Lett. 72, 40 (1998).
16. Y. Sato and S. Sato, Jpn. J. Appl. Phys., Part 1 36, 4295 (1997).
17. M.J. Paisley, Z. Sitar, J.B. Posthill, and R.F. Davis, J. Vac. Sci. Technol. A 7, 701 (1989).
18. O. Brandt, H. Yang, B. Jenichen, Y. Suzuki, L. Däweritz, and K. H. Ploog, Phys. Rev. B 52, R2253 (1995).
19. D. Schikora, M. Hankeln, D.J. As, K. Lischka, T. Litz, A. Waag, T. Buhrow, and F. Henneberger, Phys. Rev. B 54, R8381 (1996).
20. H. Okumura, H. Hamaguchi, T. Koizumi, K. Balakrishnan, Y. Ishida, M. Arita, S. Chichibu, H. Nakanish, T. Nagatomo, and S. Yoshida, J. Cryst. Growth 189/190, 390 (1998).
21. A.P. Lima, A. Tabata, J.R. Leite, S. Kaiser, D. Schikora, B. Schöttker, T. Frey, D.J. As, and K. Lischka, J. Cryst. Growth 201-202, 396 (1999).
22. A. Tabata, A.P. Lima, L.K. Teles, L.M.R. Scolfaro, J.R. Leite, V. Lemos, B. Schöttker, T. Frey, D. Schikora, and K. Lischka, Appl. Phys. Lett. 74, 362 (1999).
23. H. Harima, T. Inoue, S. Nakashima, H. Okumura, Y. Ishida, S. Yoshida, T. Koizumi, H. Grille, and F. Bechstedt, Appl. Phys. Lett. 74, 191 (1999).
24. A. Tabata, J.R. Leite, A.P. Lima, E. Silveira, V. Lemos, T. Frey, D.J. As, D. Schikora, and K. Lischka, Appl. Phys. Lett. 75, 1095 (1999).
25. S. Chichibu, T. Azuhata, T. Sota, and S. Nakamura, in III-V Nitrides, edited by F.A. Ponce, T. D. Moustakas, I. Akasaki, and B. A. Monemar, MRS Symposia Proceedings Vol. 449 (Materials Research Society, Pittsburgh, 1997), p. 653.
26. K. Hiramatsu, Y. Kawaguchi, M. Shimizu, N. Sawaki, T. Zheleva, R.F. Davis, H. Tsuda, W. Taki, N. Kuwano, and K. Oki, MRS Internet J. Nitride Semicond. Res. 2, 6 (1997).
27. N. Wieser, O. Ambacher, H.-P. Felsl, L. Görgens, and M. Stutzmann, Appl. Phys. Lett. 74, 3981 (1999).
28. A. Wakahara, T. Tokuda, X.-Z. Dang, S. Noda, and A. Sasaki, Appl. Phys. Lett. 71, 906 (1997).
29. S. Yu. Karpov, MRS Internet J. Nitride Semicond. Res. 3, 16 (1998).
30. T. Saito and Y. Arakawa, Phys. Rev. B 60, 1701 (1999).
31. L. Bellaiche, S.-H. Wei, and A. Zunger, Phys. Rev. B 56, 13 872 (1997).
32. T. Mattila and A. Zunger, J. Appl. Phys. 85, 160 (1999).
33. K. Kim, S. Limpijumnong, W.R.L. Lambrecht, and B. Segall, in III-V Nitrides (Ref. 23), p. 929.
34. N.J. Jeffs, A.V. Blant, T.S. Cheng, C.T. Foxon, C. Bailey, P.G. Harrison, J.F.W. Mosselmans, and A.J. Dent, in Wide-Bandgap Semiconductors for High Power, High Frequency and High Temperature, edited by S. Den Baars, M.S. Shur, J. Palmour, and M. Spencer, MRS Symposia Proceedings Vol. 512 (Materials Research Society, Pittsburgh, 1998), p. 519.
35. J.M. Sanchez, F. Ducastelle, and D. Gratias, Physica A 128, 334 (1984).
36. A. Zunger, in Statistics and Dynamics of Alloy Phase Transformations, edited by P.E.A. Turchi and A. Gonis (Plenum New York, 1994), p. 361;
37. S.-H. Wei, L.G. Ferreira, and A. Zunger, Phys. Rev. B 41, 8240 (1990).
38. A. Sher, M. van Schilfgaarde, A.-B. Chen, and W. Chen, Phys. Rev. B 36, 4279 (1987).
39. J.W.D. Connolly and A.R. Williams, Phys. Rev. B 27, 5169 (1983).
40. A. Qteish, N. Motta, and A. Balzarotti, Phys. Rev. B 39, 5987 (1989).
41. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
42. W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).
43. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
44. J. Furthmüller, P. Käckell, F. Bechstedt, and G. Kresse, Phys. Rev. B 61, 4576 (2000).
45. U. Grossner, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 58, R1722 (1998).
46. U. GrossnerJ. FurthmüllerF. BechstedtAppl. Phys. Lett. 74, 3851 (1999).
47. J.P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
48. H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976).
49. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
50. G. KresseJ. FurthmüllerPhys. Rev. B 54, 11 169 (1996).
51. F. D. Murnaghan, Proc. Natl. Acad. Sci. USA 30, 244 (1944).
52. A.F. Wright and J.S. Nelson, Phys. Rev. B 51, 7866 (1995).
53. K. Kim, W.R.L. Lambrecht, and B. Segall, Phys. Rev. B 53, 16 310 (1996).
54. K. Shimada, T. Sota, and K. Suzuki, J. Appl. Phys. 84, 4951 (1998).
55. D. Doppalapudi, S.N. Basu, K.F. Ludwig, Jr., and T.D. Moustakas, J. Appl. Phys. 84, 1389 (1998).
56. E. Silveira, A. Tabata, J.R. Leite, R. Trentin, V. Lemos, T. Frey, D.J. As, D. Schikora, and K. Lischka, Appl. Phys. Lett. 75, 3602 (1999).
57. A. Tabata, E. Silveira, J.R. Leite, R. Trentin, L.M.R. Scolfaro, V. Lemos, T. Frey, D.J. As, D. Schikora, and K. Lischka, Phys. Status Solidi B 216, 769 (1999).
58. K.E. Miyano, J.C. Woicik, L.H. Robins, C.E. Bouldin, and D.K. Wickenden, Appl. Phys. Lett. 70, 2108 (1997).