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Effects of thermal spin disorder and excess Mn on the electronic spectrum ofhalf-metallic NiMnSb are studied using first-principles calculations.Temperature-dependent spin disorder, introduced within the vector disorderedlocal moment model, causes the valence band at the $\Gamma$ point to broadenand shift upwards, crossing the Fermi level and thereby closing thehalf-metallic gap above room temperature. The spectroscopic signatures ofexcess Mn on the Ni, Sb, and empty sites (Mn$_\mathrm{Ni}$, Mn$_\mathrm{Sb}$,and Mn$_\mathrm{E}$) are analyzed. Mn$_\mathrm{Ni}$ is spectroscopicallyinvisible. The relatively weak coupling of Mn$_\mathrm{Sb}$ and Mn$_\mathrm{E}$spins to the host strongly deviates from the Heisenberg model, and the spin ofMn$_\mathrm{E}$ is canted in the ground state. While the half-metallic gap ispreserved in the collinear ground state of Mn$_\mathrm{Sb}$, thermal spindisorder of the weakly coupled Mn$_\mathrm{Sb}$ spins destroys it at lowtemperatures. This property of Mn$_\mathrm{Sb}$ may be the source of theobserved low-temperature transport anomalies.

Spectral signatures of thermal spin disorder and excess Mn in half-metallic NiMnSb