First-principles investigation of the elastic and thermodynamic properties of ReC2 (Re = Ho, Nd, Pr)
2015 ◽
Vol 29
(01)
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pp. 1450256
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Keyword(s):
The elastic and thermodynamic properties of Re C 2 (Re = Ho , Nd , Pr ) have been investigated by using the first-principles density functional theory within the generalized gradient approximation. The computed lattice constants of Re C 2 are in agreement with the experimental data. The calculated elastic constants reveal that all compounds are mechanically stable. The shear modulus, Young's modulus, Poisson's ratio σ, the ratio B/G, shear anisotropy and elastic anisotropy are also calculated. Finally, the Vicker hardness, Debye temperature, melting point and thermal conductivity have been predicted.
2015 ◽
Vol 93
(4)
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pp. 409-412
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2013 ◽
Vol 27
(25)
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pp. 1350141
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2013 ◽
Vol 27
(24)
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pp. 1350130
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2014 ◽
Vol 2014
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pp. 1-7
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