High T ferromagnetic inverse Heusler alloys: A comparative study of FeRhSi and FeRhGe
arXiv:2102.10967 · doi:10.1103/PhysRevB.104.094402
Abstract
We report the results of experimental investigations on structural, magnetic, resistivity, caloric properties of FeRhZ (Z=Si,Ge) along with \textit{ab-initio} band structure calculations using first principle simulations. Both these alloys are found to crystallize in inverse Heusler structure but with disorder in tetrahedral sites between Fe and Rh. FeRhSi has saturation moment of 5.00 and while its counterpart has 5.19 . Resistivity measurement reveals metallic nature in both of them. Theoretical simulations using generalized gradient approximation(GGA) predict inverse Heusler structure with ferromagnetic ordering as ground state for both the alloys. However it underestimates the experimentally observed moments. GGA+ approach, with Hubbard values estimated from density functional perturbation theory helps to improve the comparison of the experimental results. FeRhSi is found to be half metallic ferromagnet while FeRhGe is not. Varying values on Fe and Rh sites does not change the net moment much in FeRhSi, unlike in FeRhGe. Relatively small exchange splitting of orbitals in FeRhGe compared to that of FeRhSi is the reason for not opening the band gap in the minority spin channel in the former. High ordering temperature and moment make FeRhSi useful for spintronics applications.
arXiv commentFull Heusler alloys, inverse Heusler alloys, Fe2RhSi, Fe2RhGe, half metals, high T_C ferromagnets, spintronics, 9 figures, 2 tables, Rh- based Heusler alloys
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