First-principles investigation of competing magnetic interactions in (Mn,Fe)Ru${}_2$Sn Heusler solid solutions

Abstract

Many Heusler compounds possess magnetic properties well-suited for applications as spintronic materials. The pseudo-binary Mn${}_{0.5}$Fe${}_{0.5}$Ru${}_2$Sn, formed as a solid solution of two full Heuslers, has recently been shown to exhibit exchange hardening suggestive of two magnetic phases, despite existing as a \textit{single} chemical phase. We have performed a first-principles study of the chemical and magnetic degrees of freedom in the Mn${}_{1-x}$Fe${}_x$Ru${}_2$Sn pseudo-binary to determine the origin of the unique magnetic behavior responsible for exchange hardening within a single phase. We find a transition from antiferromagnetic (AFM) to ferromagnetic (FM) behavior upon replacement of Mn with Fe, consistent with experimental results. The lowest energy orderings in Mn${}_{1-x}$Fe${}_x$Ru${}_2$Sn consist of chemically- and magnetically-uniform (111) planes, with Fe-rich regions preferring FM ordering and Mn-rich regions preferring AFM ordering, independent of the overall composition. Analysis of the electronic structure suggests that the magnetic behavior of this alloy arises from a competition between AFM-favoring Sn-mediated superexchange and FM-favoring RKKY exchange mediated by spin-polarized conduction electrons. Changes in valency upon replacement of Mn with Fe shifts the balance from superexchange-dominated interactions to RKKY-dominated interactions.

14 pages, 9 figures

References in corpus (3)

• Role of the conduction electrons in mediating exchange interactions in Heusler alloys
• Spin-polarization and electronic properties of half-metallic Heusler alloys calculated from first-principles
• On the rich magnetic phase diagram of (Ni, Co)-Mn-Sn Heusler alloys

Cited by in corpus (4)

• Modeling magnetic evolution and exchange hardening in disordered magnets: The example of Mn${}_{1-x}$Fe${}_x$Ru${}_2$Sn Heusler alloys
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• Understanding Magnetic Phase Coexistence in Ru${}_2$Mn${}_{1-x}$Fe${}_x$Sn Heusler Alloys: A Neutron Scattering, Thermodynamic, and Phenomenological Analysis
• Extrinsic to intrinsic mechanism crossover of anomalous Hall effect in the Ir-doped MnPtSn Heusler system