Intrinsic defect properties in GaN calculated by ab initio and empirical potential methods

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 24, 2004, Pages 1-8

  Gao, Fei ^a   Bylaska, Eric J ^a   Weber, William J ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GALLIUM; NITROGEN;

AB INITIO CALCULATION; ARTICLE; ATOM; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; SIMULATION;

EID: 14944376212     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.245208     Document Type: Article

References (30)

1. GaN and Related Alloys, edited by S. J. Pearton, C. Kuo, A. F. Wright, and T. Uenoyama (Materials Research Society, Pittsburgh, PA, 1999); Mater. Res. Soc. Symp. Proc. 537 (1999).
2. GaN and Related Alloys, edited by S. J. Pearton, C. Kuo, A. F. Wright, and T. Uenoyama (Materials Research Society, Pittsburgh, PA, 1999); Mater. Res. Soc. Symp. Proc. 537 (1999).
3. S. J. Pearton, J. C. Zolper, R. J. Shul, and F. Ren, J. Appl. Phys. 86, 1 (1999).
4. S. Nakamura, The Blue Laser Diode-GaN Based Light Emitters and Lasers (Springer, Berlin, 1997).
5. K. Saarinen, T. Laine, S. Kuisma, J. Nissilä, P. Hautojärvi, L. Dobrzynski, J. M. Baranowski, K. Pakula, R. Stepniewski, M. Wojdak, A. Wysmolek, T. Suski, M. Leszcynski, I. Grzegory, and S. Porowski, Phys. Rev. Lett. 79, 3030 (1997).
6. K. Saarinen, T. Suski, I. Grzegory, and D. V. Look, Phys. Rev. B 64, 233201 (2001).
7. P. Boguslawski, E. L. Briggs, and J. Bernholc, Phys. Rev. B 51, 17 255 (1995).
8. I. Gorczyca, A. Svane, and N. E. Christensen, Phys. Rev. B 60, 8147 (1999).
9. D. E. Boucher, G. G. Deleo, and W. B. Fowler, Phys. Rev. B 59, 10 064 (1999).
10. J. Nord, K. Albe, P. Erhart, and K. Nordlund, J. Phys.: Condens. Matter 15, 5649 (2003).
11. T. P. Straatsma, E. Apra, T. L. Windus, M. Dupuis, E. J. Bylaska, W. de Jong, S. Hirata, D. M. A. Smith, M. T. Hackler, L. Pollack, R. J. Harrison, J. Nieplocha, V. Tipparaju, M. Krishnan, E. Brown, G. Cisneros, G. I. Fann, H. Fruchtl, J. Garza, K. Hirao, R. Kendall, J. A. Nichols, K. Tsemekhman, M. Valiev, K. Wolinski, J. Anchell, D. Bernholdt, P. Borowski, T. Clark, D. Clerc, H. Dachsel, M. Deegan, K. Dyall, D. Elwood, E. Glendening, M. Gutowski, A. Hess, J. Jaffe, B. Johnson, J. Ju, R. Kobayashi, R. Kutteh, Z. Lin, R. Littlefield, X. Long, B. Meng, T. Nakajima, S. Niu, M. Rosing, G. Sandrone, M. Stave, H. Taylor, G. Thomas, J. van Lenthe, A. Wong, and Z. Zhang, A Computational Chemistry Package for Parallel Computers, 4.5 ed. (Pacific Northwest National Laboratory, Richland, Washington, 2003).
12. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
13. R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989).
14. D. R. Hamann, Phys. Rev. B 40, 2980 (1989).
15. K. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
16. O. Lagerstedt and B. Monemar, Phys. Rev. B 19, 3064 (1979).
17. K. Karch, J. M. Wagner, and F. Bechstedt, Phys. Rev. B 57, 7043 (1998).
18. K. Parlinski and Y. Kawazoe, Phys. Rev. B 60, 15 511 (1999).
19. A. F. Wright and J. S. Nelson, Phys. Rev. B 50, 2159 (1994).
20. T. Detchprom, K. Hiramatsu, K. Itoh, and I. Akasaki, Jpn. J. Appl. Phys. 31, L454 (1992).
21. W. A. Harrison, Electronic Structure and the Properties of Solid (Dover, New York, 1989).
22. D. J. Chadi and M. L. Cohen, Phys. Rev. B 8, 5747 (1973).
23. S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. 67, 2339 (1991).
24. L. Torp, M. Marlo, T. E. M. Staab, and R. M. Nieminen, J. Phys.: Condens. Matter 13, 6203 (2001).
25. D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, and R. L. Nuttall, The NBS Tables of Chemical Thermodynamic Properties (NBS Tech Note 270), J. Phys. Chem. Ref. Data, 11 (1982).
26. N. Aïchoune, V. Potin, P. Ruterana, A. Hairie, G. Nouet, and E. Paumier, Comput. Mater. Sci. 17, 380 (2000).
27. A. Béré and A. Serra, Phys. Rev. B 65, 205325 (2001).
28. J. Neugebauer and C. G. Van de Walle, Phys. Rev. B 50, 8067 (1994).
29. T. Mattila and R. Nieminen, Phys. Rev. B 59, 10064 (1999).
30. K. H. Chow, G. D. Watkin, A. Usui, and M. Mizuta, Phys. Rev. Lett. 85, 2761 (2000).