Theoretical evidence for the kick-out mechanism for B diffusion in SiC

Applied Physics Letters

Volumn 81, Issue 16, 2002, Pages 2989-2991

  Rurali, R ^a   Godignon, P ^a   Rebollo, J ^a   Ordejon P ^b   Hernandez E ^b  

^a INSTITUTO DE MICROELECTRÓNICA DE BARCELONA   (Spain)

^b INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

B DIFFUSION; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES; IMPURITIES IN; LATTICE SITES;

CALCULATIONS; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; SILICON; SILICON CARBIDE;

DIFFUSION IN SOLIDS;

EID: 79956047718     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1515369     Document Type: Article

References (27)

1. P. M. Fahey, P. B. Griffin, and J. D. Plummer, Rev. Mod. Phys. 61, 289 (1989). rmp RMPHAT 0034-6861
2. E. J. Choyke, H. Matsunami, and G. Pensl (eds.), Phys. Status Solidi B 202, 1 (1997). psb PSSBBD 0370-1972
3. B. Sadigh, T. J. Lenosky, S. K. Theiss, M. J. Caturla, T. Diaz de la Rubia, and M. A. Foad, Phys. Rev. Lett. 83, 4341 (1999); prl PRLTAO 0031-9007
4. W. Windl, M. M. Bunea, R. Stumpf, S. T. Dunham, and M. P. Masquelier, Phys. Rev. Lett. 83, 4345 (1999); prl PRLTAO 0031-9007
5. P. Alippi, L. Colombo, P. Ruggerone, A. Sieck, G. Seifert, and T. Frauenheim, Phys. Rev. B 64, 075207 (2001). prb PRBMDO 0163-1829
6. D. Sánchez-Portal, P. Ordejón, E. Artacho, and J. M. Soler, Int. J. Quantum Chem. 65, 543 (1997); ijq IJQCB2 0020-7608
7. E. Artacho, D. Sánchez-Portal, P. Ordejón, A. García, and J. M. Soler, Phys. Status Solidi B 215, 809 (1999); psb PSSBBD 0370-1972
8. J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002). jcz JCOMEL 0953-8984
9. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); pvb PRVBAK 0096-8269
10. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). pva PRVAAH 0096-8250
11. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991). prb PRBMDO 0163-1829
12. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982). prl PRLTAO 0031-9007
13. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980); prl PRLTAO 0031-9007
14. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). prb PRBMDO 0163-1829
15. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). prl PRLTAO 0031-9007
16. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 8, 5747 (1973). prq PLRBAQ 0556-2805
17. R. Rurali, E. Hernández, P. Godignon, J. Rebollo, and P. Ordejón (unpublished).
18. K. J. Chang and M. L. Cohen, Phys. Rev. B 35, 8196 (1987). prb PRBMDO 0163-1829
19. C. Wang, J. Bernholc, and R. F. Davis, Phys. Rev. B 38, 12752 (1988). prb PRBMDO 0163-1829
20. Physics of Group IV Elements and III-V Compounds, Vol. 17a of Landolt-Börnstein Tables, edited by O. Madelung, M. Schulz, and H. Weiss (Springer, Berlin, 1982).
21. M. Bockstedte and O. Pankratov, Mater. Sci. Forum 338-342, 949 (2000); msf MSFOEP 0255-5476
22. M. Bockstedte, A. Mattausch, and O. Pankratov, 353-356, 447 (2001). msf MSFOEP 0255-5476
23. S. G. Sridhara, L. L. Clemen, R. P. Devaty, W. J. Choyke, D. J. Larkin, T. Troffer, and G. Pensl, J. Appl. Phys. 83, 7909 (1998). jap JAPIAU 0021-8979
24. H. Bracht, N. A. Stolwijk, M. Laube, and G. Pensl, Appl. Phys. Lett. 77, 3188 (2000). apl APPLAB 0003-6951
25. J. Zhu, T. Diaz de la Rubia, L. H. Yang, C. Mailhiot, and G. H. Gilmer, Phys. Rev. B 54, 4741 (1996). prb PRBMDO 0163-1829
26. M. S. Janson, M. K. Linnarson, A. Hallén, B. G. Svenson, N. Nordell, and H. Bleichner, Appl. Phys. Lett. 76, 1434 (2000). apl APPLAB 0003-6951
27. M. Laube, G. Pensl, and H. Itoh, Appl. Phys. Lett. 74, 2292 (1999). apl APPLAB 0003-6951