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  • Letter

Exotic magnetic and electronic properties of layered CrI3 single crystals under high pressure

Anirudha Ghosh, D. Singh, T. Aramaki, Qingge Mu, V. Borisov, Y. Kvashnin, G. Haider, M. Jonak, D. Chareev, S. A. Medvedev, R. Klingeler, M. Mito, E. H. Abdul-Hafidh, J. Vejpravova, M. Kalbàč, R. Ahuja, Olle Eriksson, and Mahmoud Abdel-Hafiez
Phys. Rev. B 105, L081104 – Published 8 February 2022
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Abstract

Through advanced experimental techniques on CrI3 single crystals, we derive a pressure-temperature phase diagram. We find that Tc increases to 66 K with pressure up to 3 GPa followed by a decrease to 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 3d orbitals. The origin of the pressure-induced reduction of the ordering temperature is associated with a decrease in the calculated bond angle, from 95 at ambient pressure to 85 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.

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  • 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

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Anirudha Ghosh1, D. Singh1, T. Aramaki2, Qingge Mu3, V. Borisov1, Y. Kvashnin1, G. Haider4, M. Jonak5, D. Chareev6,7,8, S. A. Medvedev3, R. Klingeler5, M. Mito2, E. H. Abdul-Hafidh9, J. Vejpravova10, M. Kalbàč4, R. Ahuja1, Olle Eriksson1,11, and Mahmoud Abdel-Hafiez1,*

  • 1Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden
  • 2Graduate School of Engineering, Kyushu Institute of Technology, Fukuoka 804-8550, Japan
  • 3Max Planck Institute for Chemical Physics of Solids, D-01187 Dresden, Germany
  • 4J. Heyrovsky Institute of Physical Chemistry of the Czech Academy of Sciences, Dolejškova 2155, 182 23 Prague, Czech Republic
  • 5Kirchhoff Institute of Physics, Heidelberg University, 69120-Heidelberg, Germany
  • 6National University of Science and Technology “MISiS,” Moscow 119049, Russia
  • 7Institute of Experimental Mineralogy (IEM RAS), Chernogolovka, Moscow Region 142432, Russia
  • 8Ural Federal University, Ekaterinburg 620002, Russia
  • 9Physics Department, Faculty of Science at Taibah University-Yanbu, King Khalid Road, Al Amoedi, 46423, Yanbu El-Bahr 51000, Saudi Arabia
  • 10Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Prague 2, Czech Republic
  • 11School of Science and Technology, Örebro University, SE-701 82 Örebro, Sweden

  • *mahmoud.hafiez@physics.uu.se

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Issue

Vol. 105, Iss. 8 — 15 February 2022

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