2000/08/15 by David J. Singh, D. J. Singh, I. I. Mazin · 6 citations
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Magnetic and transport properties of perovskites and related materials #Physics of Superconductivity and Magnetism #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.63.165101
Submitted for Publication
arxiv created 2000/08/15 · openalex publication_date 2001/03/27 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
The electronic structure of layered Sr3Ru2O7 in its orthorhombic structure is investigated using density functional calculations. The band structure near the Fermi energy, consists of Ru t2g states hybridized with O p orbitals. The yz and xz bands, which are largely responsible for the nesting related antiferromagnetic spin fluctuations in Sr2RuO4 split pairwise into even and odd combinations due to the interlayer coupling reducing the strength of the nesting. The xy bands show much less interplanar coupling as expected, and also less c-axis dispersion, so that the barrel-like sections are largely intact compared to the single layer material. The zone folding due to orthorhombicity yields small cylindrical lens shaped Fermi surfaces centered at the midpoints of the former tetragonal \ensuremathΓ\ensuremath-X lines. Fixed spin moment calculations indicate that tetragonal Sr3Ru2O7 is borderline ferromagnetic but that orthorhombicity favors magnetism via a substantial magnetoelastic coupling. These results are related to experimental observations particularly in regard to magnetic properties.