Pseudo-half-metalicity in the double perovskite Sr${}_2$CrReO${}_6$ from density-functional calculations

Abstract

The electronic structure of the spintronic material Sr${}_2$CrReO${}_6$ is studied by means of full-potential linear muffin-tin orbital method. Scalar relativistic calculations predict Sr${}_2$CrReO${}_6$ to be half-metallic with a magnetic moment of 1 ${\mu }_B$. When spin-orbit coupling is included, the half-metallic gap closes into a pseudo-gap, and an unquenched rhenium orbital moment appears, resulting in a significant increase of the total magnetic moment to 1.28 ${\mu }_B$. This moment is significantly larger than the experimental moment of 0.9 ${\mu }_B$. A possible explanation of this discrepancy is that the anti-site disorder in Sr${}_2$CrReO${}_6$ is significantly larger than hitherto assumed.

3 Pages, 1 figure, 1 Table

Cited by in corpus (18)

• Half-metallic ferromagnets: From band structure to many-body effects
• Oxide spintronics
• Spintronic oxides grown by laser-MBE
• Magnetic and electric properties of double-perovskites and estimation of their Curie temperatures by ab initio calculations
• X-ray magnetic circular dichroism study of Re 5d magnetism in Sr2CrReO6
• Origin of Magnetism and trend in $T_c$ in Cr-based double perovskites: Interplay of two driving mechanisms
• Magnetism in Re-based ferrimagnetic double perovskites
• Novel Multifunctional Materials Based on Oxide Thin Films and Artificial Heteroepitaxial Multilayers
• Magnetic moments of W 5d in Ca2CrWO6 and Sr2CrWO6 double perovskites
• Giant magnetic anisotropy changes in Sr2CrReO6 thin films on BaTiO3
• Electronic structure and X-ray magnetic circular dichroism of CrO${}_2$
• Spin-Electron-Phonon Excitation in Re-based Half-Metallic Double Perovskites
• Structural and metal-insulator transitions in rhenium based double perovskites via orbital ordering
• Epitaxial growth and magnetic properties of Sr2CrReO6 thin films
• Majority-spin non-quasiparticle states in half-metallic ferrimagnet Mn${}_2$VAl
• Re-t2g-splitting-driven semiconductor gaps in ferrimagnetic double perovskite Ca2MReO6 (M=Cr,Fe) from first principles
• Effects of Strain and Buffer Layer on Interfacial Magnetization in Sr${}_2$CrReO${}_6$ Films Determined by Polarized Neutron Reflectometry
• Resonant inelastic X-ray scattering investigation of Hund's and spin-orbit coupling in $5d^2$ double perovskites