Formation and migration energy of native defects in silicon carbide from first principles: An overview

Defect and Diffusion Forum

Volumn 323-325, Issue , 2012, Pages 11-18

  Roma, Guido ^a,b   Bruneval, Fabien ^a   Liao, Ting ^a,c   Martínez, Olga Natalia Bedoya ^a   Crocombette, Jean Paul ^a  

^a SERVICE DE RECHERCHES DE MÉTALLURGIE PHYSIQUE   (France)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

^c UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

Ab initio; Defects; Density Functional Theory; Diffusion; Irradiation effects; Kinetics; Silicon carbide

Indexed keywords

CALCULATIONS; DEFECTS; DIFFUSION; ENZYME KINETICS; IRRADIATION; POINT DEFECTS; POPULATION STATISTICS; SILICON CARBIDE;

AB INITIO; DEFECT POPULATION; DIFFUSION PROPERTIES; FIRST PRINCIPLES; IRRADIATION EFFECT; KINETIC CALCULATIONS; MIGRATION ENERGY; NATIVE POINT DEFECTS;

DENSITY FUNCTIONAL THEORY;

EID: 84860830715     PISSN: 10120386     EISSN: 16629507     Source Type: Journal    
DOI: 10.4028/www.scientific.net/DDF.323-325.11     Document Type: Conference Paper

References (44)

1. C. Wang et al.: Phys. Rev. B Vol. 38 (1988), p. 12752.
2. M. Bockstedte et al.: Phys. Stat. Sol. B Vol. 245 (2008), p. 1281.
3. J.-p. Crocombette and G. Roma: CEA Report DEN/DANS/DMN/SRMP/NT/2009-21/A
4. M. Bockstedte et al.: Phys. Rev. B Vol. 68 (2003), p. 205201.
5. F. Bruneval: Phys. Rev. Lett. Vol. 103 (2009), p. 176403.
6. S. B. Zhang and J. E. Northrup: Phys. Rev. Lett. Vol. 67 (1991), p. 2339.
7. p. Déak et al.: Mater. Sci. Eng. B Vol. 154-155 (2008), p. 187.
8. A. Alkauskas et al.: Phys. Rev. Lett. Vol. 101 (2008), p. 046405.
9. p. Rinke et al.: Phys. Rev. Lett. Vol. 102 (2009), p. 026402.
10. L. Martin-Samos et al.: Phys. Rev. Lett. Vol. 104 (2010), p. 075502.
11. F. Bruneval and G. Roma: Phys. Rev. B Vol. 83 (2011), p. 144116.
12. O. N. Bedoya-Martínez and G. Roma: Phys. Rev. B Vol. 82 (2010), p. 134115.
13. A. Zywietz et al.: Phys. Rev. B Vol. 59 (1999), p. 15166.
14. T. Wimbauer et al.: Phys. Rev. B Vol. 56 (1997). p. 7384.
15. L. Torpo et al.: Appl. Phys. Lett. Vol. 74 (1999), p. 221.
16. M. Bockstedte et al.: Mater. Sci. Forum Vol. 389-393 (2002), p. 471.
17. T. T. Petrenko et al.: J. Phys. Condens. Matter Vol. 14 (2002), p. 12433.
18. J. M. Lento et al.: J. Phys. Condens. Matter Vol. 16 (2004), p. 1053.
19. F. Bernardini et al.: Eur. Phys. J. B Vol. 38 (2004), p. 437.
20. L. Torpo et al.: J. Phys. Condens. Matter Vol. 13 (2001), p. 6203.
21. T. Liao et al.: Philos. Mag. Vol. 89 (2009), p. 2271.
22. S. Taylor and F. Bruneval: Phys. Rev. B Vol. 84 (2011), p. 075155.
23. A. Gali et al.: Phys. Rev. B Vol. 68 (2003), p. 215201.
24. L. Torpo et al.: Phys. Rev. B Vol. 57 (1998), p. 6243.
25. A. Mattausch, PhD thesis (2005), Friedrich-Alexander-Universität Erlangen-Nürnberg.
26. L. Torpo et al.: Phys. Rev. B Vol. 65 (2002), p. 085202.
27. U. Gerstmann et al.: Phys. Rev. B Vol. 70 (2004), p. 201204.
28. T. A. G. Eberlein et al.: Phys. Rev. B Vol. 65 (2002), p. 184108.
29. T. A. G. Eberlein et al.: Phys. Rev. B Vol. 74 (2006), p. 144106.
30. F. Gao et al.: Appl. Phys. Lett. Vol. 90 (2007), p. 221915.
31. T. Liao et al.: J. Phys. Chem. C Vol. 114 (2010), p. 22691.
32. A. Mattausch et al.: Phys. Rev. B Vol. 69 (2004), p. 045322.
33. A. Mattausch et al.: Phys. Rev. B Vol. 70 (2004), p. 235211.
34. A. Gali et al.: Phys. Rev. B Vol. 73 (2006), p. 033204.
35. T. Hornos et al.: Phys. Rev. B Vol. 76 (2007), p. 165209.
36. T. Liao and G. Roma, CEA Report DMN/SRMP/NT/2008-01, p. 23.
37. M. Bockstedte and O. Pankratov: Mater. Sci. Forum Vol. 338-342 (2000), p. 949.
38. A. Mattausch et al.: Mater. Sci. Forum Vol. 353-356 (2001), p. 323.
39. R. Rurali, et al.: Comp. Mater. Sci. Vol. 27 (2003), p. 36.
40. E. Rauls et al.: Phys. Rev. B Vol. 68 (2003), p. 155208.
41. G. Roma and J.-p. Crocombette: J. Nucl. Mater. Vol. 403 (2010), p. 32.
42. E. Rauls et al.: Physica B Vol. 308-310 (2001), p. 645.
43. M. Bockstedte et al.: Phys. Rev. B Vol. 69 (2004), p. 235202.
44. G. Lucas and L. Pizzagalli: J. Phys. Condens. Matter Vol. 19 (2007), p. 086208.