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Abstract
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, VCl 3 , a novel 2D layered vdW Mott insulator, which has a rhombohedral structure (R3, No. 148) at room temperature. VCl 3 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 VCl 3 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 VCl 3 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 VI 3 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.
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Authors (7)
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Dario Mastrippolito
- Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, 67100 L’Aquila, Italy
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Luigi Camerano
- Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, 67100 L’Aquila, Italy
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Břetislav Šmíd
- Faculty of Mathematics and Physics, Department of Surface and Plasma Science, Charles University, V Holešoviˇckách 2, 180 00 Prague 8, Czech Republic
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Luca Ottaviano
- Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, 67100 L’Aquila, Italy
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Gianni Profeta
- Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, 67100 L’Aquila, Italy
Cite as
Full text
- Publication version
- Accepted or Published Version
- DOI:
- Digital Object Identifier (open in new tab) 10.1103/PhysRevB.108.045126
- License
- Copyright (2023 American Physical Society)
Keywords
Details
- Category:
- Articles
- Type:
- artykuły w czasopismach
- Published in:
-
PHYSICAL REVIEW B
no. 108,
ISSN: 2469-9950 - Language:
- English
- Publication year:
- 2023
- Bibliographic description:
- Mastrippolito D., Camerano L., Świątek H., Šmíd B., Klimczuk T., Ottaviano L., Profeta G.: Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3// PHYSICAL REVIEW B -Vol. 108,iss. 4 (2023), s.1-7
- DOI:
- Digital Object Identifier (open in new tab) 10.1103/physrevb.108.045126
- Sources of funding:
-
- COST_FREE
- Verified by:
- Gdańsk University of Technology
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