Browsing Center of Excellence for Geopolymer and Green Technology (CEGEOGTECH) (Articles) by Subject "Ab initio calculations"

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Electronic structure, magnetism and robust half-metallicity of new quaternary Heusler alloy FeCrMnSb

Singh, Mukhtiyar P.; Saini, Hardev S.; Ali Hussain, Reshak, Prof. Dr.; Kashyap, Manish K. (Elsevier B.V., 2013)

A new quaternary Heusler alloy FeCrMnSb is identified by employing ab initio electronic structure calculations. It is stable in Y-structure which is also verified by various conditions governed by elastic constants c ij. ...