Computational materials science, an increasingly reliable engineering tool: Anomalous nitride band structures and device consequences

MRS Internet Journal of Nitride Semiconductor Research

Volumn 4, Issue SUPPL. 1, 1999, Pages

  Sher, A ^a   Van Schilfgaarde, M ^b   Berding, M A ^a   Krishnamurthy, S ^a   Chen, A B ^c  

^a SRI INTERNATIONAL   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

^c AUBURN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; BINARY ALLOYS; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; GALLIUM ALLOYS; GROUND STATE; SEMICONDUCTING ORGANIC COMPOUNDS; TOOLS; ZINC;

LOCAL-DENSITY APPROXIMATION (LDA); PSEUDOBINARY ALLOYS;

MATERIALS SCIENCE;

EID: 3442898020     PISSN: 10925783     EISSN: None     Source Type: Journal    
DOI: 10.1557/s1092578300002945     Document Type: Conference Paper

References (46)

1. A.-B. Chen and A. Sher, Semiconductor Alloys, (Plenum, New York, 1995).
2. M. van Schilfgaarde, A. Sher, and A.-B. Chen, J. Cryst. Growth 178, 8 (1997).
3. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). W. Kohn and L. J. Sham, Phys. Rev. 140, 1133 (1965).
4. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). W. Kohn and L. J. Sham, Phys. Rev. 140, 1133 (1965).
5. J. P. Perdew, K. Burke and M. Enzerhof, Phys. Rev. Lett. 77, 3865 (1996).
6. H. R Rücker (unpublished).
7. O. K. Andersen, Phys. Rev. B 12, 3060 (1975).
8. M. Methfessel, Phys. Rev. B 38, 1537 (1988).
9. M. A. Berding, M. van Schilfgaarde, and A. Sher, Thermodynamics and Electronic Properties of GaN and Related Alloys (unpublished).
10. R. Pandey, J. E. Jaffe, and N. M. Harrison, J. Mater. Res. 8, 1922 (1993).
11. W. A. Harrison, Phys. Rev. B 31, 2121 (1985).
12. Rubio, J. L. Corkill, M. L. Cohen, E. L. Shirley, and S. G. Louie, Phys. Rev. B 48, 11810 (1993).
13. D. Elwell and M. M. Elwell, Prog. Cryst. Growth Charact. 17, 53 (1988).
14. N. E. Christensen and I. Gorczyca, Phys. Rev. B 50, 4397 (1994); Ibid., 47, 4307 (1993).
15. N. E. Christensen and I. Gorczyca, Phys. Rev. B 50, 4397 (1994); Ibid., 47, 4307 (1993).
16. W. G. Bi and C. W. Tu, J. Appl. Phys. 80, 1934 (1996).
17. S. Nakamura, Chapter xxx, this volume, 1998.
18. V. Fiorentini, M. Methfessel, and M. Scheffler, Phys. Rev. B 47, 13353 (1993).
19. W. R. L. Lambrecht, B. Segall, J. Rife, W. R. Hunter, and D. K. Wickenden, Phys. Rev. B 51, 13516 (1995).
20. K. Miwa and A. Fukumoto, Phys. Rev. B 48, 7897 (1993).
21. M. Palummo, L. Reining, R. W. Godby, C. M. Bertoni, and N. Börnsen, Europhysics Lett. 26, 607 (1994).
22. M. Palummo, R. Del Sole, L. Reining, F. Bechstedt, and G. Cappellini, Solid State Commun. 95, 393 (1995).
23. W. R. L. Lambrecht, B. Segall, S. Strite, G. Martin, A. Agarwal, H. Morkoa, and A. Rockett, Phys. Rev. B 50, 14155 (1994).
24. For a general overview of the density functional theory and its applications, see the review by R. O. Jones and O. Gunnarsson, Rev. Mod. Physics, 61, 688 (1989).
25. P. B. Perry and R. F. Rutz, Apply. Phys. Lett. 33, 319 (1978)
26. Monemar, Phys. Rev. B 10, 676 (1974).
27. T. L. Tansley and C. P. Foley, J. Appl. Phys., 59 3241 (1986).
28. H. Hong, D. Pavlidis, S. W. Brown, and S. C. Rand, J. Appl. Phys. 77, 1705 (1995).
29. F. Aryasetiawan and O. Gunnarsson, Phys. Rev. B 54, 17564 (1996).
30. S.-H. Wei, L. G. Ferreira, J. E. Bernard, and A. Zunger, Phys. Rev. B 42, 9622 (1990).
31. K. Kim, S. Limpigumnong, W. R. L. Lambrecht, and B. Segall, MRS. Proc. 449, 929 (1997).
32. L. Bellaiche, S. H. Wei, and A. Zunger, Phys. Rev. B 21, 13872 (1997).
33. A. F. Wright and J. S. Nelson, Appl. Phys. Let. 66, 3465 (1995); ibid. Appl. Phys. Let 66, 3051 (1995).
34. A. F. Wright and J. S. Nelson, Appl. Phys. Let. 66, 3465 (1995); ibid. Appl. Phys. Let 66, 3051 (1995).
35. M. A. Khan, R. A. Skogman, R. G. Schulze, and M. Gershenzon, Appl. Phys. Lett. 43, 492 (1983).
36. D. K. Wickenden, C. B. Bargeron, W. A. Bryden, J. Miragliotta, and T. J. Kistenmacher, Appl. Phys. Lett. 65, 2024 (1994).
37. M. R. H. Khan, Y. Koide, H. Itoh, N. Sawaki, and I. Akasaki, Solid State Comm. 60, 509 (1986).
38. Koide, H. Itoh, M. R. H. Khan, K. Hiramatu, N. Sawaki, and I. Akasaki, J. Appl. Phys. 61, 4540 (1987).
39. Rubio and M. L. Cohen, Phys. Rev. B, 514343 (1995).
40. J. Neugebauer and C. G. Van de Walle, Phys. Rev. B 51, 10568 (1995).
41. L. Bellaiche, S.-H. Wei, and A. Zunger, Appl. Phys. Lett. 70, 3558 (1997).
42. M. van Schilfgaarde (unpublished).
43. S. Krishnamurthy, M. van Schilfgaarde, A. Sher, A.-B. Chen, Appl. Phys. Lett. 71, 1 (1997).
44. Gelmont, K. Kim, and M. Shur, J. Appl. Phys. 74, 1818 (1993).
45. N. S. Mansour, K. W. Kim, and M. A. Littlejohn, J. Appl. Phys. 77, 2834 (1995).
46. J. Kolnik, I. H. Oguzman, K. Brennan, R. Wang, P. Ruden, Y. Wang, J. Appl. Phys. 78, 1033 (1995).