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Abstract First-principles calculations of the structural parameters, elastic constants, mechanical moduli, Debye temperature, and density of states (DOS) of cubic CsCl-type (B2) XAu (X = Er, Tm) rare-earth intermetallic compounds under hydrostatic compression up to 20 GPa have been performed. The calculations were carried out within the framework of density functional theory (DFT) using the pseudopotential plane-wave (PP-PW) method and the local density approximation (LDA).
Ayuda Buscar en la ayuda Buscar en la ayuda Elastic constants and thermophysical properties of CuPd (10 pages): first-principles study A. Benmakhlouf [1] ; S. Daoud [1] ; N. Bouarissa [2] ; O. Allaoui [1] [1] Université Amar Telidji de Laghouat, Algérie [2] University of M’sila, Algeria Localización: Revista Mexicana de Física, ISSN-e 0035-001X, Vol. 71, Nº.
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