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First-Principles Study on the Structural, Elastic, Electronic and Vibrational Properties of Scandium Based Intermetalic Compounds (ScX, X = Co, Rh and Ir) Under Pressure
(AMER SCIENTIFIC PUBLISHERS, 2017)
The structural, electronic, mechanic and vibrational properties of B2-type scandium intermetallic compounds, ScCo, ScRh and ScIr, are studied by performing ab-initio density functional theory using the Vienna Ab initio ...