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- Title
First-principles investigation of the elastic and thermodynamic properties of Re<sub>2</sub> (Re = , , ).
- Authors
Huang, Wen; Chen, Haichuan
- Abstract
The elastic and thermodynamic properties of Re2 (Re = , , ) have been investigated by using the first-principles density functional theory within the generalized gradient approximation. The computed lattice constants of Re2 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.
- Subjects
RHENIUM; THERMODYNAMICS; ELASTIC properties of metals; DENSITY functional theory; LATTICE constants; YOUNG'S modulus; THERMAL conductivity
- Publication
Modern Physics Letters B, 2015, Vol 29, Issue 1, p-1
- ISSN
0217-9849
- Publication type
Article
- DOI
10.1142/S021798491450256X