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- W2357320827 abstract "With the pseudopotential plane-wave method of first principle, the electronic structure, dielectric and elastic properties of zinc-blende AlN, AlP and AlAs were studied. The results show that based on the density functional perturbation theory, the calculated results are in good agreement with other ab initio and molecular dynamics calculated values, but have definite difference with the experimental data. The calculated values are affected by lattice constant, selection of pseudopotential and selection of exchange-correlation energy. Based on the calculated elastic constant, the elastic moduli of characteristic plane (101) are figured, which offers reference to mechanical study of these materials afterward." @default.
- W2357320827 created "2016-06-24" @default.
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- W2357320827 date "2008-01-01" @default.
- W2357320827 modified "2023-09-25" @default.
- W2357320827 title "First principle study on dielectric and elastic properties of zinc-blended AlN, AlP and AlAs" @default.
- W2357320827 hasPublicationYear "2008" @default.
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