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Pressure-Induced Restoration of the Reversed Crystal-Field Splitting in $��$-Sr$_2$CrO$_4$
- Publication Year :
- 2020
- Publisher :
- arXiv, 2020.
-
Abstract
- Motivated by an experimental finding that the successive phase transitions in $��$-Sr$_2$CrO$_4$ 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.<br />5 pages, 1 figure, to appear in JPS Conf. Proc. (Proceedings for SCES2019)
Details
- Database :
- OpenAIRE
- Accession number :
- edsair.doi...........8ccba67b95dc93b386023e2c9b7ea402
- Full Text :
- https://doi.org/10.48550/arxiv.2002.07960