First-principles study of structural, elastic, electronic, thermodynamic and optical properties of Sc3SnX (X = B, C)
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DOI: 10.1016/j.cocom.2017.09.001
Abstract: Abstract We have calculated the structural, elastic, electronic, thermodynamic and optical properties of Sc3SnX (X = B, C) using first-principles density functional theory (DFT). The optimized structural parameters are found to be in good agreement with the… read more here.
Keywords: structural elastic; thermodynamic optical; optical properties; elastic electronic ... See more keywords