Predicting the stable Type-I phase of XMnSb (X= Co, Fe, Os) compounds and its thermodynamic, electronic and magnetic properties from first-principles calculations
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DOI: 10.1016/j.solidstatesciences.2020.106208
Abstract: Abstract We use Density Functional Theory (DFT) within the Generalized Gradient Approximation (GGA) and Perdew-Burke-Ernzerhof (PBE) exchangecorrelation GGA-PBE functional to predict the structure, magnetic, electronic, mechanical and thermodynamic properties of X M n S b… read more here.
Keywords: stable type; type phase; predicting stable; phase xmnsb ... See more keywords