DFT calculations predict that half-Heusler CrMnSb is a fully compensated half-metallic ferrimagnet, contradicting the Slater-Pauling expectation of a nonmagnetic semiconductor for 18 valence electrons.
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Half-metallicity and anomalous Slater-Pauling behaviour in half-Heusler CrMnSb
DFT calculations predict that half-Heusler CrMnSb is a fully compensated half-metallic ferrimagnet, contradicting the Slater-Pauling expectation of a nonmagnetic semiconductor for 18 valence electrons.