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First-principles calculations of the elastic properties of ZrC and ZrN

✍ Scribed by Dayong Cheng; Shaoqing Wang; Hengqiang Ye


Book ID
116597677
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
73 KB
Volume
377
Category
Article
ISSN
0925-8388

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πŸ“œ SIMILAR VOLUMES


First-principles calculations of elastic
✍ Zhong-li Liu; Xiang-Rong Chen; Yong-Liang Wang πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 170 KB

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