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First principles calculation of elastic properties of AlMgB14

โœ Scribed by Yongbin Lee; B.N. Harmon


Book ID
117620930
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
564 KB
Volume
338
Category
Article
ISSN
0925-8388

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๐Ÿ“œ SIMILAR VOLUMES


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