Ab-inito study of low temperature magnetic properties of double perovskite Sr2FeOsO6

Abstract

Using density-functional theory calculations, we investigated the electronic structure and magnetic exchange interactions of the ordered 3d-5d double perovskite Sr2FeOsO6, which has recently drawn attention for interesting antiferromagnetic transitions. Our study reveals the vital role played by long-range magnetic exchange interactions in this compound. The competition between the ferromagnetic nearest neighbor Os-O-Fe interaction and antiferromagnetic next nearest neighbor Os-O-Fe-O-Os interaction induces strong frustration in this system, which explains the lattice distortion and magnetic phase transitions observed in experiments.

arXiv comment5 Figures, 2 Tables

References in corpus (7)

• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• Structural and doping effects in the half-metallic double perovskite $A_2$CrWO${}_6$
• Lattice Instability and Competing Spin Structures in the Double Perovskite Insulator Sr2FeOsO6
• Synthesis, Crystal Structure and Physical Properties of Sr2FeOsO6
• Lattice-site-specific spin-dynamics in double perovskite Sr2CoOsO6
• Electronic Structure and Exchange Interactions of Na${}_2$V${}_3$O${}_7$
• Ab Initio Calculation of Spin Gap Behavior in CaV4O9

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