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Lattice distortions and magnetic interactions in single-layer VOCl
Tech Univ Darmstadt, Germany.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-7563-1494
2023 (English)In: Physical Review Materials, E-ISSN 2475-9953, Vol. 7, no 7, article id 074003Article in journal (Refereed) Published
Abstract [en]

Atomically thin layers exfoliated from magnetic van der Waals layered materials are currently of high interest in solid state physics. VOCl is a quasi-two-dimensional layered antiferromagnet which was recently synthesized in monolayer form. Previous theoretical studies have assumed the high-temperature orthorhombic lattice symmetry also in the low-temperature range, where the bulk system is known to be monoclinic due to a strong magnetoelastic coupling. We demonstrate from ab initio calculations that this monoclinic distortion is prevalent also in monolayers, which is in line with recent experimental indications of monoclinic symmetry. Our calculations also show that competing ferromagnetic and antiferromagnetic interactions cause a frustrated twofold magnetic superstructure where higher-order magnetic interactions play a key role.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2023. Vol. 7, no 7, article id 074003
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-197521DOI: 10.1103/PhysRevMaterials.7.074003ISI: 001051418500001OAI: oai:DiVA.org:liu-197521DiVA, id: diva2:1795706
Note

Funding Agencies|Olle Engkvists Stiftelse [207-0582]; Swedish e-Science Research Centre (SeRC); Swedish Research Council [2022-06725, 2018-05973]

Available from: 2023-09-11 Created: 2023-09-11 Last updated: 2024-02-08

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CiteExportLink to record
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