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• W2044292311 endingPage "5345" @default.
• W2044292311 startingPage "5340" @default.
• W2044292311 abstract "Ab initio calculations, based on norm-conserving non-local pseudopotentials and the density functional theory (DFT), have been performed to investigate the behaviour under hydrostatic pressure of the structural, electronic, elastic and dynamical properties of AlP, in both zinc-blende and nickel arsenide phases. Our calculated structural and electronic properties are in good agreement with previous theoretical and experimental results. The phonon dispersion curves, the elastic constants, Born effective charge, etc., were calculated with the local density approximation and the density functional perturbation theory (DFPT). Our results in the pressure behaviour of the elastic and dynamical properties of both phases are in agreement with the experimental data when available, in other case they can be considered as predictions." @default.
• W2044292311 created "2016-06-24" @default.
• W2044292311 creator A5006524411 @default.
• W2044292311 creator A5007333072 @default.
• W2044292311 creator A5013623035 @default.
• W2044292311 creator A5065811119 @default.
• W2044292311 date "2008-08-01" @default.
• W2044292311 modified "2023-10-18" @default.
• W2044292311 title "Lattice dynamics properties of zinc-blende and Nickel arsenide phases of AlP" @default.
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• W2044292311 doi "https://doi.org/10.1016/j.physleta.2008.06.010" @default.
• W2044292311 hasPublicationYear "2008" @default.
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