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First-Principles Calculations of the Elastic Properties of the Nickel-Based L12 Intermetallics

✍ Scribed by Iotova, D.; Kioussis, N.; Lim, S. P.; Sun, S.; Wu, R.


Book ID
127111854
Publisher
Cambridge University Press
Year
1995
Weight
426 KB
Volume
408
Category
Article
ISSN
0272-9172

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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