Complex-orbital ordering and Verwey transition in Fe3O4
Creators
- 1. Hiroshima Univ., ADSM, Dept. of Quantum Matters, Higashi-Hiroshima, Hiroshima (Japan)
Description
The charge and orbital orderings above and below the Verwey transition in magnetite (Fe3O4) have been investigated using a three-band model for electrons with minority spins in the t2g orbitals on the B sites with a mean-field approximation. For the high-temperature phase above the Verwey transition, an orbital ordered state with spontaneous breaking of the time reversal symmetry having noncollinear orbital moments is obtained as the lowest energy solution. The result is in contrast to usual magnetic materials, in which the orbital moments are induced by ordered spins via the spin-orbit interaction. For the low-temperature phase, a similar orbital ordering with longer periodicity accompanied by charge disproportionation caused by a monoclinic lattice distortion is proposed. (author)
Additional details
Publishing Information
- Journal Title
- Journal of the Physical Society of Japan
- Journal Volume
- 75
- Journal Issue
- 4
- Journal Page Range
- p. 043704.1-043704.4
- ISSN
- 0031-9015
INIS
- Country of Publication
- Japan
- Country of Input or Organization
- Japan
- INIS RN
- 37071833
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- BAND THEORY; CHARGE STATES; CRYSTAL LATTICES; ELECTRONIC STRUCTURE; HARTREE-FOCK METHOD; IRON OXIDES; L-S COUPLING; MAGNETITE; ORBITAL ANGULAR MOMENTUM; PHASE DIAGRAMS; SPIN ORIENTATION
- Descriptors DEC
- ANGULAR MOMENTUM; APPROXIMATIONS; CALCULATION METHODS; CHALCOGENIDES; COUPLING; CRYSTAL STRUCTURE; DIAGRAMS; INFORMATION; INTERMEDIATE COUPLING; IRON COMPOUNDS; IRON ORES; MINERALS; ORES; ORIENTATION; OXIDE MINERALS; OXIDES; OXYGEN COMPOUNDS; TRANSITION ELEMENT COMPOUNDS
Optional Information
- Notes
- 22 refs., 4 figs., 1 tab.