Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1504950 | Solid State Sciences | 2012 | 4 Pages |
Abstract
A first-principles plane-wave pseudopotential method based on the density functional theory is used to investigate the structural, elastic and electronic properties of M4N5 and M5N6 (M = a transition metal (TM) Nb, Ta). C33 elastic constant for all compounds is found to be much larger than C11, indicating that a-axis is more compressible than c-axis. Interestingly, we find that C33 and C11 are significantly larger than other elastic constants, resulting in a pronounced elastic anisotropy.
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Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
T. Chihi, M. Fatmi, B. Ghebouli,