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First-principle calculations of the elastic properties of semiconductors

โœ Scribed by Kumar, V.; Singh, Bhanu P.; Pandey, Bramha P.


Book ID
122333022
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
313 KB
Volume
87
Category
Article
ISSN
0927-0256

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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