Pressure-Induced Restoration of the Reversed Crystal-Field Splitting in α-Sr2CrO4
Abstract
Motivated by an experimental finding that the successive phase transitions in α-Sr2CrO4 observed at ambient pressure ceases to exist under high pressures, we carry out the density-functional-theory-based electronic structure calculations and demonstrate that the reversal of the crystal-field splitting reported previously is restored under high pressures, so that the orbital degrees of freedom disappears, resulting in the single phase transition that divides the system into high-temperature Mott insulating and low-temperature antiferromagnetic insulating phases.
- Publication:
-
International Conference on Strongly Correlated Electron Systems (SCES2019)
- Pub Date:
- 2020
- DOI:
- 10.7566/JPSCP.30.011026
- arXiv:
- arXiv:2002.07960
- Bibcode:
- 2020sces.confa1026T
- Keywords:
-
- Condensed Matter - Strongly Correlated Electrons;
- Condensed Matter - Materials Science
- E-Print:
- 5 pages, 1 figure, to appear in JPS Conf. Proc. (Proceedings for SCES2019)