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- W2137639420 abstract "Structural, elastic and electronic properties of ReO2 are investigated by first-principles calculations based on density functional theory. The ground state of ReO2 has an orthorhombic symmetry which belongs to space group Pbcn with α = 4.7868 Å b = 5.5736 Å and c = 4.5322 Å. The calculated bulk moduli are 322 GPa, 353 GPa, and 345 GPa for orthorhombic, tetragonal, and monoclinic ReO2, respectively, indicating that ReO2 has a strong incompressibility. ReO2 is a metal ductile solid and presents large elastic anisotropy. The obtained Debye temperatures are 850K for orthorhombic, 785K for tetragonal, and 791K for monoclinic ReO2." @default.
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- W2137639420 date "2008-10-30" @default.
- W2137639420 modified "2023-10-18" @default.
- W2137639420 title "Structural, Elastic and Electronic Properties of ReO 2" @default.
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- W2137639420 doi "https://doi.org/10.1088/0256-307x/25/11/068" @default.
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