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First-principles calculations of the atomic and electronic properties of group IIIA disilicides in AlB2 type structures

✍ Scribed by Miguel Zavala Aké; Gregorio H. Cocoletzi; Noboru Takeuchi


Book ID
113913360
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
487 KB
Volume
10
Category
Article
ISSN
1293-2558

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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