Abstract
Through advanced experimental techniques on single crystals, we derive a pressure-temperature phase diagram. We find that increases to K with pressure up to GPa followed by a decrease to K at 21.2 GPa. The experimental results are reproduced by theoretical calculations based on density functional theory where electron-electron interactions are treated by a static on-site Hubbard on Cr orbitals. The origin of the pressure-induced reduction of the ordering temperature is associated with a decrease in the calculated bond angle, from at ambient pressure to at 25 GPa. Above 22 GPa, experiment and theory jointly point to the idea that the ferromagnetically ordered state is destroyed, giving rise first to a complex, unknown magnetic configuration, and at sufficiently high pressures a pure antiferromagnetic configuration. This sequence of transitions in the magnetism is accompanied by a well-detected pressure-induced semiconductor-to-metal phase transition that is revealed by both high-pressure resistivity measurements and ab initio theory.
- Received 8 April 2021
- Revised 16 November 2021
- Accepted 25 January 2022
DOI:https://doi.org/10.1103/PhysRevB.105.L081104
©2022 American Physical Society