Aspects of point defects energetics and diffusion in SiO2 from first principles simulations

Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

Volumn 250, Issue 1-2 SPEC. ISS., 2006, Pages 54-56

  Roma, Guido ^a   Limoge, Yves ^a   Martin Samos, Layla ^a  

^a SERVICE DE RECHERCHES DE MÉTALLURGIE PHYSIQUE   (France)

Author keywords

Defects; Diffusion; First principles calculations

Indexed keywords

CRYSTAL IMPURITIES; CRYSTALLINE MATERIALS; DIFFUSION; ELECTROCHEMISTRY; FUSED SILICA; PASSIVATION; QUARTZ;

FIRST PRINCIPLES CALCULATIONS; MIGRATION ENERGIES; OXYGEN INTERSTITIALS; SELF DIFFUSION;

POINT DEFECTS;

EID: 33746302232     PISSN: 0168583X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.nimb.2006.04.159     Document Type: Article

References (9)

1. Roma G., Limoge Y., and Baroni S. Phys. Rev. Lett. 86 (2001) 4564
2. Roma G., and Limoge Y. Phys. Rev. B 70 (2004) 174101
3. Mikkelsen J.C. Appl. Phys. Lett. 45 (1984) 1187
4. Jin Y.-G., and Chang K.J. Phys. Rev. Lett. 86 (2001) 793
5. Martin-Samos L., et al. Phys. Rev. B 71 (2005) 014116
6. L. Martin-Samos, Ph.D. Thesis, 2004.
7. Jain H., and Nowick A.S. J. Appl. Phys. 53 (1982) 477
8. Yokozawa A., and Miyamoto Y. Phys. Rev. B 55 (1997) 13783
9. Bloechl P.E. Phys. Rev. B 62 (2000) 6158