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First-principles calculations of elastic properties of Cu3Sn superstructure

โœ Scribed by Chen, Jiunn; Lai, Yi-Shao; Ren, Chung-Yuan; Huang, Di-Jing


Book ID
118028104
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
648 KB
Volume
92
Category
Article
ISSN
0003-6951

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First-principles calculations of elastic
โœ Zhong-li Liu; Xiang-Rong Chen; Yong-Liang Wang ๐Ÿ“‚ Article ๐Ÿ“… 2006 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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