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- W2059830908 abstract "We present rst-principles calculations of the structural and lattice-dynamical properties for cubic yttrium nitride. The ground state properties, such as the lattice constant and the bulk modulus, are calculated using a plane wave pseudopotential method within density functional theory. A linear-response approach to density functional theory is used to derive the phonon frequencies. In this work, we present plane-wave pseudopotential calculations within density functional theory and calculate the phonon frequencies for high symmetry points." @default.
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- W2059830908 date "2013-02-01" @default.
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- W2059830908 title "First Principles Study of Phonon Dispersion Curved for Yttrium Nitride" @default.
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- W2059830908 doi "https://doi.org/10.12693/aphyspola.123.317" @default.
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