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Novel Laves phase superconductor NbBe2: A theoretical investigation

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arxiv 1603.03917 v1 pith:GLBWEI2Z submitted 2016-03-12 cond-mat.mtrl-sci

classification cond-mat.mtrl-sci
keywords nbbe2superconductorcompoundlavesphasereportedsuperconductingbeen
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A new Laves phase superconductor NbBe2, prototype with MgCu2, having maximum Tc ~2.6 K has been reported very recently. Based on first-principle calculations, we systematically study the structural, elastic, mechanical, electronic, thermal and superconducting properties of the newly reported superconducting intermetallic compound NbBe2. Finally, we investigate the electron-phonon coupling constant, phonon dispersion curve and density of states which indicates that the compound under study is a weakly coupled BCS superconductor.

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