Elasticity of hexagonal BeO

We study the elastic properties, electronic structure, and equation of state of BeO using a first-principles pseudopotential method within the gradient-corrected approximation of the density functional theory. Comparison of the calculated and experimental properties of BeO shows good agreement for a...

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Detalhes bibliográficos
Main Authors: Milman, V, Warren, M
Formato: Journal article
Idioma:English
Publicado em: IOP 2001