Stacking Fault Energy of Cu-Ga Alloys from First Principles


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The segregation energy of solute Ga in the staking fault in Cu-Ga alloy was calculated from the first principles. Then, we presented numerical results of the stacking fault energy for Cu-Ga alloy using the value of the segregation energy as a input parameter to a expression in the equilibrium state. The numerical results of the stacking fault energy were in good agreement with the experimental values.



Materials Science Forum (Volumes 561-565)

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Edited by:

Young Won Chang, Nack J. Kim and Chong Soo Lee




S. Fujita et al., "Stacking Fault Energy of Cu-Ga Alloys from First Principles", Materials Science Forum, Vols. 561-565, pp. 1915-1918, 2007

Online since:

October 2007




[1] R. M. Bonesteel and O. D. Sherby, Acta Metallurgica 14, 385 (1966).

[2] H. Suzuki, J. Phys. Soc. Jpn 17, 322 (1962).

[3] T. Uesugi, M. Kohyama, and K. Higashi, Physical Review B 68, 184103 (2003).

[4] T. Uesugi, Y. Takigawa, and K. Higashi, Mater. Trans. 46, 1117 (2005).

[5] T. Uesugi, M. Kohyama, M. Kohzu, and K. Higashi, Mater. Trans. 42, 1167 (2001).

[6] T. Uesugi and K. Higashi, submitted to Phys. Rev. B.

[7] M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys : Condens. Matter 14, 2717 (2002).


[8] P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).

[9] W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).

[10] J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).

[11] J. Hartford, B. v. Sydow, G. Wahnstrom, and B. I. Lundqvist, Phys. Rev. B 58, 2487 (1998).

[12] P. C. J. Gallagher, Metal. Trans. 1, 2429 (1970).

[13] H. P. Rave and E. Hombogen, Z. Metal. 55, 763 (1964).

[14] P. A. Flinn, Acta Metall. 6, 631 (1958).