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• W1991316292 abstract "The ground-state properties of ZnO in the rock-salt (B1), CsCl (B2), zinc-blende (B3), wurtzite (B4), cinnabar, cmcm, d-β-tin, NiAs, Immm, and Imm2 structures were investigated using an accurate first-principles total-energy calculations based on the full-potential augmented plane-wave plus local orbitals (APW+lo) method. The local density approximation was used for the exchange and correlation energy density functional. The ground state properties such as lattice parameter, bulk modulus and its pressure derivative as well as the structural phase stability were calculated and compared to the available experimental data and previous theoretical works." @default.
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• W1991316292 date "2008-09-01" @default.
• W1991316292 modified "2023-09-30" @default.
• W1991316292 title "Electronic properties and stability of ZnO from computational study" @default.
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• W1991316292 doi "https://doi.org/10.1016/j.physb.2008.03.026" @default.
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