Abstract
An ab initio pseudopotential method is used to investigate the structural and phonon properties of ScP and ScAs in the B1(NaCl) structure. The calculated lattice constants, static bulk modulus and first-order pressure derivative of the bulk modulus are reported in B1 structure and compared with previous calculations. A linear-response approach to the density-functional theory is used to derive the phonon frequencies and density of states. The phonon dispersion curves for the two materials are compared.
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