Understanding Si adsorption on GaN(0001) surfaces using first-principles calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 73, Issue 20, 2006, Pages

  Rosa, A L ^a   Neugebauer, J ^b  

^a UPPSALA UNIVERSITY   (Sweden)

^b MAX PLANCK INSTITUT FÜR EISENFORSCHUNG GMBH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33646469211     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.205314     Document Type: Article

References (51)

1. A. L. Rosa, J. Neugebauer, J. E. Northrup, C. D. Lee, and R. M. Feenstra, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1452785 80, 2008 (2002).
2. S. Nakamura and G. Fasol, The Blue Laser Diode (Springer-Verlag, Berlin, 1997).
3. O. Ambacher, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/31/20/001 31, 2653 (1998).
4. G. Mula, C. Adelmann, S. Moehl, J. Oullier, and B. Daudin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.195406 64, 195406 (2001).
5. B. Heying, R. Averbeck, L. F. Chen, E. Haus, H. Riechert, and J. S. Speck, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1305830 88, 1855 (2000).
6. L. X. Zheng, M. H. Xie, S. M. Seutter, S. H. Cheung, and S. Y. Tong, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.2352 85, 2352 (2000).
7. C. Adelmann, J. Brault, G. Mula, B. Daudin, L. Lymperakis, and J. Neugebauer, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.165419 67, 165419 (2003).
8. G. Koblmüller, R. Averbeck, H. Riechert, and P. Pongratz, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.035325 69, 035325 (2004).
9. A. R. Smith, R. M. Feenstra, D. W. Greve, M.-S. Shin, M. Skowronski, J. Neugebauer, and J. E. Northrup, J. Vac. Sci. Technol. B JVTBD9 0734-211X 10.1116/1.590156 16, 2242 (1998).
10. A. R. Smith, R. M. Feenstra, D. W. Greve, M.-S. Shin, M. Skowronski, J. Neugebauer, and J. E. Northrup, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039- 6028(98)00903-0 423, 70 (1999).
11. H. Chen, R. M. Feenstra, J. E. Northrup, T. Zywietz, J. Neugebauer, and D. M. Greve, J. Vac. Sci. Technol. B JVTBD9 0734-211X 10.1116/1.1306296 18, 2284 (2000).
12. F. Widmann, B. Daudin, G. Feuillet, Y. Samson, J. L. Rouvière, and N. Pelekanos, Appl. Phys. Lett. APPLAB 0003-6951 83, 7618 (1998).
13. F. Widmann, B. Daudin, G. Feuillet, N. Pelekanos, and J. L. Rouvière, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.122539 73, 2642 (1998).
14. J. Neugebauer and C. G. V. de Walle, in Proceedings of the 22nd International Conference on the Physics of Semiconductors, edited by, D. Lockwood, (World Scientific, Singapore, 1994), Vol. 3, p. 2327.
15. J. Neugebauer and C. G. V. de Walle, Adv. Solid State Phys. FSTKA2 0430-3393 35, 25 (1996).
16. T. S. Cheng, C. T. Foxon, L. C. Jenkins, S. E. Hooper, D. E. Lacklison, J. W. Orton, B. Y. Ber, A. V. Merkulov, and S. V. Novikov, Semicond. Sci. Technol. SSTEET 0268-1242 10.1088/0268-1242/11/4/014 11, 538 (1996).
17. W. Götz, N. M. Johnson, C. Chen, H. Liu, C. Kuo, and W. Imler, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.115805 68, 3144 (1996).
18. S. Tanaka, M. Takeuchi, and Y. Aoyagi, Jpn. J. Appl. Phys., Part 2 JAPLD8 0021-4922 10.1143/JJAP.39.L831 39, L831 (2000).
19. A. Cremades, L. Görgens, O. Ambacher, M. Stutzmann, and F. Scholz, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.2812 61, 2812 (2000).
20. L. T. Romano, C. G. V. de Walle, J. W. A., III, W. Götz, and R. S. Kern, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.373529 87, 7745 (2000).
21. E. Dumiszewska, D. Lenkiewicz, W. Strupinski, A. Jasik, R. Jakiela, and M. Wesolowski, Opt. Appl. OPAPBZ 0078-5466 35, 111 (2005).
22. S. Keller, S. F. Chichibu, M. S. Minsky, E. Hu, U. K. Mishra, and S. P. DenBaars, J. Cryst. Growth JCRGAE 0022-0248 10.1016/S0022-0248(98)00680-0 195, 258 (1998).
23. A. Munkholm, C. Thompson, M. V. R. Murty, J. A. Eastman, O. Auciello, G. B. Stephenson, P. Fini, S. P. DenBaars, and J. S. Speck, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1309023 77, 1626 (2000).
24. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
25. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
26. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
27. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
28. N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
29. N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.8861 43, 8861 (1991).
30. M. Fuchs and M. Scheffler, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(98)00201-X 119, 67 (1997).
31. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
32. A. L. Rosa and J. Neugebauer, Phys. Rev. B (to be published).
33. Properties of Group-III Nitrides and EMIS Datareviews, edited by, J. H. Edgar, (IEEE, London, 1994).
34. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1996).
35. W. Y. Ching, L. Ouyang, and J. D. Gale, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.8696 61, 8696 (2000).
36. M. Fuchs, J. L. F. DaSilva, C. Stampfl, J. Neugebauer, and M. Scheffler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.245212 65, 245212 (2002).
37. M. Fuchs, M. Bockstedte, E. Pehlke, and M. Scheffler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.2134 57, 2134 (1998).
38. O. Borgen and H. M. Seip, Acta Chem. Scand. (1947-1973) ACSAA4 0001-5393 15, 1789 (1961).
39. J. Liang, L. Topor, A. Navrotsky, and M. Mitomo, J. Mater. Res. JMREEE 0884-2914 14, 1959 (1999).
40. Handbook of Physics and Chemistry, 76th ed., edited by, D. R. Lide, (New York, New York, 1995).
41. L. Bosio, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.435841 68, 1221 (1978).
42. R. W. G. Wyckoff, Crystal Structures (Wiley, New York, 1962), Vol. 1, p. 22.
43. L. Bosio, A. Defrain, H. Curien, and A. Rimsky, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. ACBCAR 0567-7408 10.1107/S0567740869003360 25, 995 (1969).
44. L. Bosio, H. Curien, M. Dupont, and A. Rimsky, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. ACBCAR 0567-7408 10.1107/S0567740872005357 28, 1974 (1972).
45. L. Bosio, H. Curien, M. Dupont, and A. Rimsky, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. ACBCAR 0567-7408 10.1107/S0567740873002530 29, 367 (1973).
46. M. Bernasconi, G. L. Chiarotti, and E. Tosatti, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.9988 52, 9988 (1995).
47. T. Zywietz, J. Neugebauer, and M. Scheffler, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.121909 73, 487 (1998).
48. C. D. Lee, R. M. Feenstra, A. L. Rosa, J. Neugebauer, and J. E. Northrup, J. Vac. Sci. Technol. B JVTBD9 0734-211X 10.1116/1.1383074 19, 1619 (2001).
49. M. M. Sung, J. Ahn, V. Bykov, J. W. Rabalais, D. D. Koleske, and A. E. Wickenden, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.14652 54, 14652 (1996).
50. J. E. Northrup, J. Neugebauer, R. M. Feenstra, and A. R. Smith, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.9932 61, 9932 (2000).
51. H. Lahrèche, P. Vennèguès, B. Beaumont, and P. Gibart, J. Cryst. Growth JCRGAE 0022-0248 10.1016/S0022-0248(99)00299-7 205, 245 (1999).