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arXiv · 2108.00173

Exotic Magnetic and Electronic Properties of Layered CrI3 Single Crystals Under High Pressure

Anirudha Ghosh·D. Singh·Qingge Mu·Y. Kvashnin·G. Haider·M. Jonak·D. Chareev·T. Aramaki·S. A. Medvedev·R. Klingeler·M. Mito·E. H. Abdul-Hafidh·J. Vejpravova·M. Kalbac·R. Ahuja·Olle Eriksson·Mahmoud Abdel-Hafiez
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Abstract

Through advanced experimental techniques on CrI$_{3}$ single crystals, we derive a previously not discussed pressure-temperature phase diagram. We find that $T_{c}$ increases to $\sim$ 66\,K with pressure up to $\sim$ 3\,GPa followed by a decrease to $\sim$ 10\,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 U on Cr 3$d$ orbitals. The origin of the pressure induced reduction of the ordering temperature is associated with a decrease of the calculated bond angle, from 95$^{\circ}$ at ambient pressure to $\sim$ 85$^{\circ}$ at 25\,GPa. Above 22\,GPa, the magnetically ordered state is essentially quenched, possibly driving the system to a Kitaev spin-liquid state at low temperature, thereby opening up the possibility of further exploration of long-range quantum entanglement between spins. The pressure-induced semiconductor-to-metal phase transition was revealed by high-pressure resistivity that is accompanied by a transition from a robust ferromagnetic state to gradually more dominating anti-ferromagnetic interactions and was consistent with theoretical modeling.

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Anirudha Ghosh, D. Singh, Qingge Mu, Y. Kvashnin, G. Haider, M. Jonak, D. Chareev, T. Aramaki, S. A. Medvedev, R. Klingeler, M. Mito, E. H. Abdul-Hafidh, J. Vejpravova, M. Kalbac, R. Ahuja, Olle Eriksson, Mahmoud Abdel-Hafiez. 2021-07-31. Exotic Magnetic and Electronic Properties of Layered CrI3 Single Crystals Under High Pressure. https://doi.org/10.1103/physrevb.105.l081104

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