Ab Initio Investigation of Vibrational, Optical and Thermodynamics Properties of Yttrium Arsenide
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DOI: 10.1007/s11664-017-5623-5
Abstract: The paper reports structural, electronic, vibrational, optical, and thermodynamic properties of the cubic structure of yttrium arsenide (YAs) calculated by density functional calculations. The calculated lattice constant and electronic band gap are 6.445 Å and 2.49 eV… read more here.
Keywords: yttrium arsenide; thermodynamics; investigation vibrational; vibrational optical ... See more keywords