Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F23%3A10476005" target="_blank" >RIV/00216208:11320/23:10476005 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=izrqT6O0uY" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=izrqT6O0uY</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.108.045126" target="_blank" >10.1103/PhysRevB.108.045126</a>
Alternative languages
Result language
angličtina
Original language name
Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
Original language description
Two-dimensional (2D) van der Waals (vdW) magnetic 3d-transition metal trihalides are a new class of functional materials showing exotic physical properties useful for spintronic and memory storage applications. In this article, we report the synthesis and electromagnetic characterization of single-crystalline vanadium trichloride, VCl3, a novel 2D layered vdW Mott insulator, which has a rhombohedral structure (R3, No. 148) at room temperature. VCl3 undergoes a structural phase transition at 103 K and a subsequent antiferromagnetic transition at 21.8 K. Combining core levels and valence bands x-ray photoemission spectroscopy (XPS) with first-principles density functional theory (DFT) calculations, we demonstrate the Mott Hubbard insulating nature of VCl3 and the existence of electron small 2D magnetic polarons localized on V atom sites by V-Cl bond relaxation. The polarons strongly affect the electromagnetic properties of VCl3 promoting the occupation of dispersion-less spin-polarized V-3d a1g states and band inversion with e'g states. Within the polaronic scenario, it is possible to reconcile different experimental evidences on vanadium trihalides, suggesting that also VI3 hosts polarons. Our results highlight the complex physical behavior of this class of crystals determined by charge trapping, lattice distortions, correlation effects, mixed valence states, and magnetic states.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10305 - Fluids and plasma physics (including surface physics)
Result continuities
Project
<a href="/en/project/LM2023072" target="_blank" >LM2023072: Surface Physics Laboratory – Hydrogen Technology Centre</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B
ISSN
2469-9950
e-ISSN
2469-9969
Volume of the periodical
108
Issue of the periodical within the volume
4
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
045126
UT code for WoS article
001062699100003
EID of the result in the Scopus database
2-s2.0-85165716860