Abstract

We have investigated magnetic properties of semi Heusler compound NiCrS to search the new candidate showing half‐metallic ferromagnetism (HMF) using full potential linearized augmented plane wave (FPLAPW) method within generalized gradient approximation (GGA) formalism for exchange and correlation effects. We predict that this compound is a nearly half‐metallic (HM) ferromagnet with high degree of spin polarization at Fermi level (EF). The total spin magnetic moment is in good agreement with Slater‐Pauling (SP) rule and is dominated by Cr atom.

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