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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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4
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Autorzy (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
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Pełna treść
- Wersja publikacji
- Accepted albo Published Version
- DOI:
- Cyfrowy identyfikator dokumentu elektronicznego (otwiera się w nowej karcie) 10.1103/PhysRevB.108.045126
- Licencja
- Copyright (2023 American Physical Society)
Słowa kluczowe
Informacje szczegółowe
- Kategoria:
- Publikacja w czasopiśmie
- Typ:
- artykuły w czasopismach
- Opublikowano w:
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PHYSICAL REVIEW B
nr 108,
ISSN: 2469-9950 - Język:
- angielski
- Rok wydania:
- 2023
- Opis bibliograficzny:
- 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:
- Cyfrowy identyfikator dokumentu elektronicznego (otwiera się w nowej karcie) 10.1103/physrevb.108.045126
- Źródła finansowania:
-
- Publikacja bezkosztowa
- Weryfikacja:
- Politechnika Gdańska
wyświetlono 49 razy
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