Silicon interstitials at Si SiO2 interfaces: Density functional calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 3, 2005, Pages

  Kirichenko, Taras A ^a   Yu, Decai ^a   Banerjee, Sanjay K ^a   Hwang, Gyeong S ^a  

^a The University of Texas at Austin   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33749233428     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.035345     Document Type: Article

References (34)

1. R. Needs, J. Phys.: Condens. Matter JCOMEL 0953-8984 84, 3555 (1999).
2. W.-K. Leung, R. J. Needs, and G. Rajagopal, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.2351 83, 2351 (1999).
3. S. Goedecker, T. Deutsch, and L. Billard, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.235501 88, 235501 (2002).
4. K. Kato, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/5/ 35/005 5, 6387 (1993).
5. G. Hwang and W. Goddard, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.233205 65, 233205 (2002).
6. D. Chadi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.195403 64, 195403 (2001).
7. R. J. Hamers, R. Tromp, and J. E. Demuth, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.34.5343 34, 5343 (1986).
8. T. Aruga and Y. Murata, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.34.5654 34, 5654 (1986).
9. T. Kirichenko, S. Banerjee, and G. Hwang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.045321 70, 045321 (2004).
10. T. A. Kirichenko, S. Banerjee, and G. Hwang, Phys. Status Solidi B PSSBBD 0370-1972 241, 2303 (2004).
11. S. T. Dunham, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.351328 71, 685 (1992).
12. P. Kohli, A. Jain, H. Bu, S. Chakravarthu, C. Machala, S. Dunham, and S. K. Banerjee, J. Vac. Sci. Technol. B JVTBD9 1071-1023 10.1116/1.1642645 22, 471 (2004).
13. S. Jain, W. Schoenmaker, R. Lindsay, P. Stolk, S. Decoutere, M. Willander, and H. Maes, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1471941 91, 8919 (2002).
14. T. Lenosky, B. Sadigh, S. Theiss, and M.-J. Caturla, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1310627 77, 1834 (2000).
15. F. Wooten, K. Winer, and D. Weaire, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.54.1392 54, 1392 (1985).
16. V. Burlakov, G. Brigs, A. Sutton, and Y. Tsukahara, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.3052 86, 3052 (2001).
17. Y. Tu, J. Tersoff, and G. Grinstein, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.4899 81, 4899 (1998).
18. P. Keating, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.145.637 145, 637 (1966).
19. A. Brunet-Bruneau, D. Souche, S. Fisson, V. V. N., G. Vuye, F. Abeles, and J. Rivory, J. Vac. Sci. Technol. A JVTAD6 0734-2101 10.1116/1.581341 16, 2281 (1998).
20. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
21. W. Kohn and L. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
22. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, RC558 (1993).
23. G. Kresse and J. Furthmuller, VASP the Guide (Vienna Univ. of Technology, Vienna, 2001).
24. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
25. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.32.8412 32, 8412 (1985).
26. A. Rappe, K. Rabe, E. Kaxiras, and J. Joannopoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.1227 41, 1227 (1990).
27. H. Monkhorst and J. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
28. N. Mermin, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.137.A1441 137, A1441 (1965).
29. A. A. Demkov, X. Zhang, and D. A. Drabold, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.125306 64, 125306 (2001).
30. G. Henkelman, B. P. Uberuaga, and H. Jonsson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1329672 113, 9901 (2000).
31. B. Silvi and A. Savin, Nature (London) NATUAS 0028-0836 10.1038/371683a0 371, 683 (1994).
32. A. Becke and K. Edgecombe, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.458517 92, 5397 (1990).
33. D. Hamann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.9899 61, 9899 (2000).
34. D. Yu, T. Kirichenko, G. Hwang, and S. Banerjee (unpublished).