journal article·2012-11Open access

Ab-initio calculation of effective exchange interactions, spin waves, and Curie temperature in L21- and L12-type local moment ferromagnets

I. Galanakis, E. Şaşıoğlu

Journal of Materials Science· Volume 47· Issue 21

Abstract

Employing first-principles electronic structure calculations in conjunction with the frozen-magnon method we study the effective exchange interactions and spin waves in local moment ferromagnets. As prototypes we have chosen three L2$_1$-type full Heusler alloys Cu$_2$MnAl, Ni$_2$MnSn and Pd$_2$MnSn, and the L1$_2$-type XPt$_3$ compounds with X= V, Cr and Mn. We have also included CoPt$_3$ which is a usual ferromagnet. In all compounds due to the large spatial separation ($\sim 4$ Å) of the magnetic transition metal atoms, the 3\textit{d} states belonging to different atoms overlap weakly and as a consequence the exchange coupling is indirect, mediated by the \textit{sp} electrons. Calculated effective exchange parameters are long range and show RKKY-type oscillations. The spin-wave dispersion curves are in reasonable agreement with available experimental data. Using the calculated exchange parameters we have estimated the Curie temperatures within both the mean-field and the random-phase approximations. In local moment ferromagents deviations of the estimated Curie temperature with respect to the available experimental data occur when the ground-state electronic structure calculations overestimate the values of the spin magnetic moments as in VPt$_3$.
Source: openaire · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Heusler alloys: electronic and magnetic properties · Magnetic and transport properties of perovskites and related materials · MXene and MAX Phase Materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

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