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First-principles study of the elastic and thermodynamic properties of HfB2 with AlB2 structure under high pressure

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

Book ID
116608764
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
821 KB
Volume
509
Category
Article
ISSN
0925-8388

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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