Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1563567 | Computational Materials Science | 2009 | 7 Pages |
Abstract
The equivalent crystal theory method of Smith et al. [Phys. Rev. B 44 (1991) 6444] originally formulated for fcc and bcc metals, and semiconductors, is here extended to hcp metals and applied to calculate surface energies. The (0 0 1) surface energies obtained for 22 hcp metals are in good agreement with the results of both experiment and ab initio calculations.
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Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
E. Aghemenloh, J.O.A. Idiodi, S.O. Azi,