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Exotic magnetic and electronic properties of layered CrI3 single crystals under high pressure
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SYSNO ASEP 0555108 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Exotic magnetic and electronic properties of layered CrI3 single crystals under high pressure Author(s) Ghosh, A. (SE)
Singh, D. (SE)
Aramaki, T. (JP)
Mu, Q. (DE)
Borisov, V. (SE)
Kvashnin, Y. (SE)
Haider, Golam (UFCH-W) ORCID, RID
Jonak, M. (DE)
Chareev, D. A. (RU)
Medvedev, S. (DE)
Klingeler, R. (DE)
Mito, M. (JP)
Abdul-Hafidh, E. (SA)
Vejpravová, J. (CZ)
Kalbáč, Martin (UFCH-W) RID, ORCID
Ahuja, R. (SE)
Eriksson, O. (SE)
Abdel-Hafiez, M. (SE)Article number L081104 Source Title Physical Review B. - : American Physical Society - ISSN 2469-9950
Roč. 105, č. 8 (2022)Number of pages 6 s. Language eng - English Country US - United States Keywords total-energy calculations ; intrinsic ferromagnetism ; spectroscopy ; metals Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry R&D Projects GX20-08633X GA ČR - Czech Science Foundation (CSF) Method of publishing Limited access Institutional support UFCH-W - RVO:61388955 UT WOS 000754185400001 EID SCOPUS 85124602997 DOI 10.1103/PhysRevB.105.L081104 Annotation Through advanced experimental techniques on CrI3 single crystals, we derive a pressure-temperature phase diagram. We find that T-c increases to similar to 66 K with pressure up to similar to 3 GPa followed by a decrease to similar 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 degrees at ambient pressure to similar to 85 degrees 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. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2023 Electronic address https://journals.aps.org/prb/abstract/10.1103/PhysRevB.105.L081104
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