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First-principles calculations of structural, elastic and electronic properties of TaB2 with AlB2 structure under high pressure

โœ Scribed by Ji-Dong Zhang; Xin-Lu Cheng; De-Hua Li


Book ID
116375805
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
655 KB
Volume
50
Category
Article
ISSN
0927-0256

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๐Ÿ“œ SIMILAR VOLUMES


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