We employ all-electron full-potential linearized muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) to calculate the equilibrium lattice parameters, five independent elastic constants and Debye temperature of LiBC. The equilibrium lattice parameters obtained are
โฆ LIBER โฆ
First-principles calculations for elastic properties of the rocksalt structure MgO
โ Scribed by Jian-Zhou Zhao; Lai-Yu Lu; Xiang-Rong Chen; Yu-Lin Bai
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 158 KB
- Volume
- 387
- Category
- Article
- ISSN
- 0921-4526
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