Ab initio molecular-dynamics study of diffusion and defects in solidN

Physical Review B - Condensed Matter and Materials Physics

Volumn 53, Issue 14, 1996, Pages 9084-9091

  Sarnthein, J ^a   Schwarz, K ^a   Blochl P ^b  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

^b IBM RESEARCH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000826781     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.53.9084     Document Type: Article

References (36)

1. A. Rabenau, Advances in Solid State Physics (Vieweg, Braunschweig, 1978), Vol. 18, p. 77
2. A. RabenauSolid State Ionics 6, 277 (1982)
3. H. Schulz and K. H. Thiemann, Acta Crystallogr. Sec. A 35, 309 (1979)
4. U. Zucker and H. Schulz, Acta Crystallogr. Sec. A 38, 568 (1982)
5. H. Schulz and K. Schwarz, Acta Crystallogr. Sec. A 34, 999 (1978)
6. P. Pattison, N. K. Hansen, and J. R. Schneider, Acta Crystallogr. Sec. A 40, 38 (1984)
7. W. Kress, H. Grimm, W. Press, and J. Lefebvre, Phys. Rev. B 22, 4620 (1980)
8. H. R. Chandrasekar, G. Bhattacharya, R. Mignoni, and H. Bilz, Phys. Rev. B 17, 884 (1978)
9. R. Messer, H. Birli, and K. Differt, J. Phys. C 14, 2731 (1981)
10. D. Brinkmann, M. Mali, J. Roos, R. Messer, and H. Birli, Phys. Rev. B 26, 4810 (1982)
11. E. Bechthold-Schweikert, M. Mali, J. Roos, and D. Brinkmann, Phys. Rev. B 30, 2891 (1984)
12. M. Mali, J. Roos, and D. Brinkmann, Phys. Rev. B 36, 3888 (1987)
13. U. v. Alpen, A. Rabenau, and G. H. Talat, Appl. Phys. Lett. 30, 621 (1977)
14. J. Wahl, Solid State Commun. 29, 485 (1979)
15. J. Wahl and U. Holland, Solid State Commun. 27, 237 (1978)
16. P. Blaha, J. Redinger, and K. Schwarz, Z. Phys. B 57, 273 (1984)
17. G. Kerker, Phys. Rev. B 23, 6312 (1978)
18. R. Dovesi, C. Pisani, F. Ricca, C. Roetti, and V. R. Saunders, Phys. Rev. B 30, 972 (1984)
19. P. Blaha, K. Schwarz, and P. Herzig, Phys. Rev. Lett. 54, 1192 (1985)
20. M. L. Wolf, J. R. Walker, and C. R. A. Catlow, J. Phys. C 17, 6623 (1984)
21. M. L. Wolf, J. Phys. C 17, L285 (1984)
22. S. Ihara and K. Suzuki, Phys. Lett. A 110, 265 (1985)
23. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985)
24. P. E. Blöchl, Phys. Rev. B 50, 17 953 (1994)
25. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981)
26. D. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980)
27. S. Nosé, Mol. Phys. 52, 255 (1984)
28. W. G. Hoover, Phys. Rev. A. 31, 1965 (1985)
29. S. Nosé, Prog. Theor. Phys. Suppl. 103, 1 (1991)
30. P. E. Blöchl and M. Parrinello, Phys. Rev. B 45, 9413 (1992)
31. P. Blaha, K. Schwarz, and R. Augustyn, wien95, Technische Universität Wien, 1995
32. P. Blaha, K. Schwarz, P. Sorantin, and S. B. Trickey, Comput. Phys. Commun. 59, 399 (1990)]
33. L. Hedin and B. I. Lundquist, J. Phys. C 4, 2064 (1971)
34. J. Nobel, S. Trickey, P. Blaha, and K. Schwarz, Phys. Rev. B 45, 5012 (1992)
35. V. L. Moruzzi and C. B. Sommer, Calculation of Electronic Properties of Ordered Alloys: A Handbook (World Scientific, Singapore, 1995)
36. M. J. Gillan, in Ionic Solids at High Temperatures, edited by A. M. Stoneham (World Scientific, Singapore, 1989)