Electronic structure and the origin of the high ordering temperature in SrRu2O6

Abstract

SrRu2O6 is a layered honeycomb lattice material with an extraordinarily high magnetic ordering temperature. We investigated this material using density functional calculations. We find that the energy scales for moment formation and ordering are similar and high. Additionally, we find that the magnetic anisotropy is high and favors moments oriented along the $c$-axis. This provides an explanation for the exceptionally high ordering temperature. Finally, the compound is found to be semiconducting at the bare density functional level, even without magnetic order. Experimental consequences of this scenario for the high ordering temperature are discussed.

References in corpus (3)

• The challenge of unravelling magnetic properties in LaFeAsO
• Magnetically driven metal-insulator transition in NaOsO3
• Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6

Cited by in corpus (5)

• Spin waves and spin-state transitions in a ruthenate high-temperature antiferromagnet
• DFT+DMFT study on soft moment magnetism and covalent bonding in SrRu${}_2$O${}_6$
• Spectroscopic signatures of molecular orbitals on a honeycomb lattice
• MoP${}_3$SiO${}_{11}$: a $4d^3$ honeycomb antiferromagnet with disconnected octahedra
• High temperature antiferromagnetism in ultrathin SrRu2O6 nanosheets