Electronic structure of boron-interstitial clusters in silicon

Journal of Physics Condensed Matter

Volumn 17, Issue 22, 2005, Pages

  Deák, Peter ^a,b   Gali, Adam ^a   Sólyom, András ^a   Buruzs, Adam ^a   Frauenheim, Thomas ^b  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b UNIVERSITY OF PADERBORN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; BORON; DEFECTS; ENERGY GAP; SILICON; SPECTROSCOPIC ANALYSIS;

BORON ATOMS; BORON IMPLANTATION; PARAMETER HYBRID FUNCTIONAL; SELF INTESTINAL;

ELECTRONIC STRUCTURE;

EID: 21144452165     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/17/22/001     Document Type: Article

References (42)

1. Caturla M J, Johnson M D and Diaz de la Rubia T 1998 Appl. Phys. Lett. 72 273
2. Lenosky T J, Sadigh B S, Theiss K, Caturla M J and Diaz de la Rubia T 2000 Appl. Phys. Lett. 77 1834
3. Zhu J, Diaz de la Rubia T, Yang L H, Malhoit C and Gilmer G H 1996 Phys. Rev. B 64 4741
4. Zhu J 1998 Comput. Mater. Sci. 12 309
5. Windl W, Liu X-Y and Masquelier M P 2001 Phys. Status Solidi b 226 37
6. Liu X-Y, Windl W and Masquelier M P 2000 Appl. Phys. Lett. 77 2018
7. Alippi P, Ruggerone P and Colombo L 2004 Phys. Rev. B 69 125205
8. Deák P, Gali A, Sólyom A, Ordejón P, Kamarás K and Battistig G 2003 J. Phys.: Condens. Matter 15 4767
9. Watkins G D 1976 Phys. Rev. B 13 2511
10. Sprenger M, van Kemp R, Sieverts E G and Ammerlaan C A J 1987 Phys. Rev. B 35 1582
11. Watkins G D 1975 Phys. Rev. B 12 5824
12. Harris R D, Newton J L and Watkins G D 1987 Phys. Rev. B 36 1094
13. Rubio A, Corkill J L, Cohen M L, Shirley E L and Louie S G 1993 Phys. Rev. B 48 11810
14. Städele M, Moukara M, Majewski J A, Vogl P and Görling A 1999 Phys. Rev. B 59 10031
15. Furthmüller J, Cappellini G V, Weissker H-Ch and Bechstedt F 2002 Phys. Rev. B 66 045110
16. Baraff G A and Schlüter M 1984 Phys. Rev. B 30 1853
17. Gerstmann U, Gali A, Deák P, Overhof H and Frauenheim Th 2004 Mater. Sci. Forum 457-460 711
18. Becke A D 1993 J. Chem. Phys. 98 5648
19. Becke A D 1997 J. Chem. Phys. 107 8554
20. Lee C, Yang W and Parr R G 1988 Phys. Rev. B 37 785
21. Muscat J, Wander A and Harrison N M 2001 Chem. Phys. Lett. 342 397
22. Dovesi R, Orlando R, Roetti C, Pisani C and Saunders V R 2000 Phys. Status Solidi b 217 63
23. Saunders V R, Dovesi R, Roetti C, Orlando R, Zicovich-Wilson C M, Harrison N M, Doll K, Civalleri B, Bush I, D'Arco Ph and Llunell M 2003 CRYSTAL2003 User's Manual (University of Torino)
24. Gali A, Deák P, Ordejón P, Son N T, Janzén E and Choyke J W 2003 Phys. Rev. B 68 125201
25. Perdew J P, Burke K and Ernzerhof M 1997 Phys. Rev. B 77 3865
26. Perdew J P, Burke K and Ernzerhof M 1997 Phys. Rev. 78 1396
27. Barthelat J C and Durand P 1977 Mol. Phys. 33 159
28. Causá M, Dovesi R and Roetti C 1991 Phys. Rev. B 43 11937
29. Madelung O (ed) 1991 Data in science and technology Semiconductors (Berlin: Springer)
30. Chang K J and Cohen M L 1987 Phys. Rev. B 35 8196
31. Zunger A and Cohen M L 1979 Phys. Rev. B 20 4082
32. Holm B, Bonde Nielsen K and Bech Nielsen B 1991 Phys. Rev. Lett. 66 2360
33. Artacho E, Sánchez-Portal D, Ordejón P, García A and Soler J M 1999 Phys. Status Solidi b 215 809
34. Troullier N and Martins J L 1991 Phys. Rev. B 43 1993
35. Kleinman L and Bylander D M 1982 Phys. Rev. Lett. 48 1425
36. Monkhorst H J and Pack J K 1976 Phys. Rev. B 13 5188
37. Aradi B 2003 Thesis Budapest University of Technology and Economics
38. Adey J, Goss J P, Jones R and Briddon P R 2003 Phys. Rev. B 67 245325
39. Windl W, Bunea M M, Stumpf R, Dunham S T and Masquelier M P 1999 Phys. Rev. Lett. 83 4345
40. Hakala M, Puska M J and Nieminen R M 2000 Phys. Rev. B 61 8155
41. Jeong J W and Oshiyama A 2001 Phys. Rev. B 23 5204
42. Gerstmann U, Deák P, Rurali R, Aradi B, Frauenheim Th and Overhof H 2003 Physica B 340-342 190