Local spin density approximation calculations are used to elucidate electronic and magnetic properties of the Heusler structure ${\mathrm{Fe}}_2\mathrm{VA}1\mathrm{}$. The compound is found to be a low carrier density semimetal. The Fermi surface has small hole pockets derived from a triply degenerate Fe derived state at $\Gamma$ compensated by a V derived electron pocket at the $X$ point. The ideal compound is found to be stable against ferromagnetism. Fe impurities on V sites, however, behave as local moments. Because of the separation of the hole and electron pockets the Ruderman-Kittel-Kasuya-Yosida interaction between such local moments should be rapidly oscillating on the scale of its decay, leading to the likelihood of spin-glass behavior for moderate concentrations of Fe on V sites. These features are discussed in relation to experimental observations of an unusual insulating state in this compound.

• Received 13 January 1998

DOI:https://doi.org/10.1103/PhysRevB.57.14352