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• W2000418580 abstract "Using ab initio plane-wave pseudopotential density functional theory method, we have studied thestructural and thermodynamic properties of the wurtzite boron nitride (w-BN). Through the quasi-harmonic Debye model, in which the phononic effects are considered, the dependencies of the normalized lattice parameters a/a(0) and c/c(0), the axial ratio c/a, and the normalized primitive cell volume V/V-0 on pressure P and temperature T are investigated. Furthermore, the Debye temperature circle minus, the variation of thermal expansion alpha, as well as the heat capacity C-V as functions of P and T are studied systematically." @default.
• W2000418580 created "2016-06-24" @default.
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• W2000418580 date "2007-11-01" @default.
• W2000418580 modified "2023-10-18" @default.
• W2000418580 title "Structural and Thermodynamic Properties of Wurtzitic Boron Nitride from First-Principle Calculations" @default.
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• W2000418580 doi "https://doi.org/10.1088/0253-6102/48/5/034" @default.
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