| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7988179 | Solid State Communications | 2014 | 4 Pages |
Abstract
The elastic properties of CuMPt6 (M=Cr and Co) in disordered face-centered cubic (fcc) structure and ordered Cu3Au-type structure are studied with lattice inversion embedded-atom method. The calculated lattice constant and Debye temperature agree quite well with the comparable experimental data. The obtained formation enthalpy demonstrates that the Cu3Au-type structure is energetically more favorable. Numerical estimates of the elastic constants, bulk/shear modulus, Young's modulus, Poisson's ratio, elastic anisotropy, and Debye temperature for both compounds are performed, and the results suggest that the disordered fcc structure is much softer than the ordered Cu3Au-type structure.
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Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Shuo Huang, Rui-Zi Li, San-Tao Qi, Bao Chen, Jiang Shen,