Structural trend of 3d transition-metal monoarsenides

Abstract

Based on a simple tight-binding model taking only p states at the As sites and d states at the metal sites into account, the structural trend of 3d transition-metal monoarsenides, as found by experiment, can be described in terms of band energies obtained from local densities of states. The result confirms the validity of the model utilising itinerant d states which hybridise with As p states even for the strongly ferromagnetic compound MnAs.