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- W2008245781 abstract "Abstract The first-principles study on the elastic properties, elastic anisotropy and thermodynamic properties of the orthorhombic OsB 4 is reported using density functional theory method with the ultrasoft pseudopotential scheme in the frame of the generalized gradient approximation. The calculated equilibrium parameters are in good agreement with the available theoretical data. A complete elastic tensor and crystal anisotropies of the ultra-incompressible OsB 4 are determined in the pressure range of 0–50 GPa. By the elastic stability criteria, it is predicted that the orthorhombic OsB 4 is stable below 50 GPa. By using the quasi-harmonic Debye model, the heat capacity, the coefficient of thermal expansion, and the Gruneisen parameter of OsB 4 are also successfully obtained in the present work." @default.
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- W2008245781 date "2013-05-13" @default.
- W2008245781 modified "2023-09-23" @default.
- W2008245781 title "ChemInform Abstract: First-Principles Study of Elastic and Thermodynamic Properties of Orthorhombic OsB4under High Pressure." @default.
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- W2008245781 doi "https://doi.org/10.1002/chin.201322003" @default.
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