| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561279 | Computational Materials Science | 2013 | 7 Pages |
Abstract
⺠Thermal stabilities, elastic properties and electronic structures of MgSc, MgY and MgLa are studied by first-principles. ⺠Gibbs free energy, Debye temperature and heat capacity are calculated. ⺠Elastic constants, bulk modulus B, shear modulus G, Young's modulus E, Poisson ratio ν and elastic anisotropy are discussed. ⺠Density of state, charges population analysis, metallicity and electronic charge density difference are researched.
Keywords
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Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Qiang Chen, Zhiwei Huang, Zude Zhao, Chuankai Hu,