The finite-temperature transport properties of FeRh compounds are investigated by first-principles Density Functional Theory-based calculations. The focus is on the behavior of the longitudinal resistivity with rising temperature, which exhibits an abrupt decrease at the metamagnetic transition point, T = Tm between ferro-and antiferromagnetic phases. A detailed electronic structure investigation for T ≥ 0 K explains this feature and demonstrates the important role of (i) the difference of the electronic structure at the Fermi level between the two magnetically ordered states and (ii) the different degree of thermally induced magnetic disorder in the vicinity of Tm, giving different contributions to the resistivity. To support these conclusions, we also describe the temperature dependence of the spin-orbit induced anomalous Hall resistivity and Gilbert damping parameter. For the various response quantities considered the impact of thermal lattice vibrations and spin fluctuations on their temperature dependence is investigated in detail. Comparison with corresponding experimental data finds in general a very good agreement.
PACS numbers: Valid PACS appear hereFor a long time the ordered equiatomic FeRh alloy has attracted much attention owing to its intriguing temperature dependent magnetic and magnetotransport properties. The crux of these features of this CsCl-structured material is the first order transition from an antiferromagnetic (AFM) to ferromagnetic (FM) state when the temperature is increased above T m = 320 K [1,2]. In this context the drop of the electrical resistivity that is observed across the metamagnetic transition is of central interest. Furthermore, if the AFM to FM transition is induced by an applied magnetic field, a pronounced magnetoresistance (MR) effect is found experimentally with a measured MR ratio ∼ 50% at room temperature [2][3][4]. The temperature of the metamagnetic transition as well as the MR ratio can be tuned by addition of small amounts of impurities [2,[5][6][7][8]. These properties make FeRh-based materials very attractive for future applications in data storage devices. The origin of the large MR effect in FeRh, however, is still under debate. Suzuki et al. [9] suggest that, for deposited thin FeRh films, the main mechanism stems from the spin-dependent scattering of conducting electrons on localized magnetic moments associated with partially occupied electronic dstates [10] at grain boundaries. Kobayashi et al. [11] have also discussed the MR effect in the bulk ordered FeRh system attributing its origin to the modification of the Fermi surface across the metamagnetic transition. So far only one theoretical investigation of the MR effect in FeRh has been carried out on an ab-initio level [12].The present study is based on spin-polarized, electronic structure calculations using the fully relativistic multiple scattering KKR (Korringa-Kohn-Rostoker) Green function method [13][14][15]. This approach allowed to calculate the transport properties of FeRh at finite temperature...