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Elastic constants of AlB2-type compounds from first-principles calculations

โœ Scribed by Y.H. Duan; Y. Sun; Z.Z. Guo; M.J. Peng; P.X. Zhu; J.H. He


Book ID
116376053
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
337 KB
Volume
51
Category
Article
ISSN
0927-0256

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Structural and elastic properties of AlB
โœ Ke Liu; Xiao-Lin Zhou; Xiang-Rong Chen; Wen-Jun Zhu ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 265 KB

The equilibrium lattice constants, five independent elastic constants and Debye temperature of HCP structure AlB 2 are investigated by using a first-principles plane wave method with the relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter scheme in the frame of density function