Ab-initio analysis of aluminum Σ = 5 grain boundaries - Fundamental structures and effects of silicon impurity

Computational Materials Science

Volumn 7, Issue 3, 1997, Pages 271-278

  Ogata, S ^a   Kitagawa, H ^a   Maegawa, Y ^b   Saitoh, K ^a  

^a OSAKA UNIVERSITY   (Japan)

^b Matushita Elec Indust Co Limited   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; GRAIN BOUNDARIES; IMPURITIES; MOLECULAR DYNAMICS; SILICON;

IMPURITY EFFECTS;

ALUMINUM;

EID: 0030737155     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0927-0256(96)00095-x     Document Type: Article

References (25)

1. J. Klema, R. Pyle and E. Domangue, Proc. Int. Reliability Physics Symp., Las Vegas, 1984 (IEEE, New York, 1984) p. 1.
2. J. Curry, G. Fitzgibbon, Y. Guan, R. Muollo, G. Nelson and A. Thomas, Proc. Int. Reliability Physics Symp., Las Vegas, 1984 (IEEE, New York, 1984) p. 6.
3. N.G. Ainslie, F.M. d'Heurle and O.C. Wells, Appl. Phys. Lett. 20 (1972) 1973.
4. L.A. Blech, J. Appl. Phys. 47 (1976) 1203.
5. L.A. Blech and K.L. Tai, Appl. Phys. Lett. 30 (1977) 387.
6. M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50(17) (1983) 1285.
7. K.W. Jacobsen, J.K. Nørskov and M.J. Puska, Phys. Rev. B 35(14) (1987) 7423.
8. A.F. Wright and S.R. Atras, Phys. Rev. B 50(20) (1994) 15248.
9. P. Hohenberg and W. Kohn, Phys. Rev. 136 (1964) 3864.
10. W. Kohn and L.J. Sham, Phys. Rev. 140 (1965) A1133.
11. J. Perdew and A. Zunger, Phys. Rev. B 23 (1981) 5048.
12. G.B. Bachelet, D.R. Hamann and M. Schlüter, Phys. Rev. B 26(8) (1982) 4199.
13. H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13 (1976) 5188.
14. G.W. Fermando, G.-X. Qian, M. Weinert and J.W. Davenport, Phys. Rev. B 40(11) (1989) 7985.
15. R.W.G. Wyckoff, Chrystal Structure (Interscience, New York, 1963).
16. R. Car and M. Parrinello, Phys. Rev. Lett. 55(22) (1985) 2471.
17. P.D. Bristowe and A.G. Crocker, Philos. Mag. A 38(5) (1978) 487.
18. G.C. Hasson and C. Goux, Scr. Metall. 5 (1971) 889.
19. D. Farkas, E.J. Savino, A.F. Chidambaram, D.J. Voter, Srolovitz and S.P. Chen, Philos. Mag. A 60 (1989) 335.
20. J.W. Edington and R.E. Smallman, Philos. Mag. 11 (1965) 1109.
21. O. Hidekazu, OYO BUTURI 59(11) (1990) 1461.
22. K. Hinode, N. Owada, T. Nishida and K. Mukai, J. Vac. Sci. Technol. B 5(2) (1987) 518.
23. M.R. Lin and J.T. Yue, Proc. Int. Reliability Physics Symp., Anaheim (1986) 164.
24. A. Otuki and M. Mizuno, Trans. Jpn. Inst. Metals Suppl. 27 (1986) 789.
25. Y. Ishida, M. Mori and M. Hashimoto, Surf. Sci. 144 (1984) 253.