Abstract
The electronic, magnetic, thermodynamical, and transport properties of FeRh alloys are studied from first principles. We present a unified approach to the phase stability, an estimate of exchange interactions in various magnetic phases, and transport properties including the effect of temperature which are all based on the same electronic-structure model.
Emphasis is put on the transition between the ferromagnetic (FM) and antiferromagnetic (AFM) phases. Such a study is motivated by a recent suggestion of FeRh as a room-temperature antiferromagnetic memory resistor.
The theory predicts the order-disorder transformation from the hypothetical disordered bcc phase into ordered B2 phase. Comparison of exchange interactions in the magnetically ordered FM and AFM phases with corresponding spin-disordered counterparts allows us to identify relevant interactions which are precursors of magnetically ordered phases.
The most important result is the explanation of a dramatic decrease of the resistivity accompanying the AFM to FMphase transition which is due to the spin disorder present in the system. The study of the anisotropic magnetoresistance in the AFM phase found recently experimentally is extended also to finite temperatures.