Substrate effect on the electronic band structure and topological properties in a monolayer V <sub>2</sub> O <sub>3</sub> magnetic topological insulator

Monolayer V<sub>2</sub>O<sub>3</sub>, a two-dimensional magnetic topological insulator with intrinsic ferromagnetic order and a nontrivial band gap, offers a promising platform for realizing quantum anomalous Hall (QAH) states. Using first-principles density functional theory calculations, we systematically investigate the impact of substrate selection on its electronic and topological properties, focusing on substrate engineering and aiming to understand how different substrates modify the electronic structure and topological phases of V<sub>2</sub>O<sub>3</sub> monolayers. By modeling heterostructures with van der Waals (vdW) substrates, we demonstrate that non-magnetic substrates such as h-BN preserve the QAH phase with a Chern number <i>C</i> = 1, maintaining gapless chiral edge states. In contrast, ferromagnetic substrates introduce additional magnetic exchange fields and interfacial charge transfer, which significantly perturb the electronic structure of V<sub>2</sub>O<sub>3</sub> and shift the Fermi level, thereby destroying the QAH state. These findings establish substrate engineering as a pivotal strategy for experimental realization of dissipationless edge transport in V<sub>2</sub>O<sub>3</sub>-based vdW heterostructures, advancing their potential applications as low-power topological electronics.

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Journal
Physical Chemistry Chemical Physics
Published
2025-01-01
DOI
https://doi.org/10.1039/d5cp02043c
Primary Topic
Topological Materials and Phenomena
Type
article
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article

Substrate effect on the electronic band structure and topological properties in a monolayer V 2 O 3 magnetic topological insulator

Jingshen Yan, Zheng Wang, Kaixuan Chen, Shu‐Shen Lyu
Physical Chemistry Chemical Physics
Topological Materials and Phenomena
article

Substrate effect on the electronic band structure and topological properties in a monolayer V 2 O 3 magnetic topological insulator

Jingshen Yan, Zheng Wang, Kaixuan Chen, Shu‐Shen Lyu
article en

Abstract

Monolayer V<sub>2</sub>O<sub>3</sub>, a two-dimensional magnetic topological insulator with intrinsic ferromagnetic order and a nontrivial band gap, offers a promising platform for realizing quantum anomalous Hall (QAH) states. Using first-principles density functional theory calculations, we systematically investigate the impact of substrate selection on its electronic and topological properties, focusing on substrate engineering and aiming to understand how different substrates modify the electronic structure and topological phases of V<sub>2</sub>O<sub>3</sub> monolayers. By modeling heterostructures with van der Waals (vdW) substrates, we demonstrate that non-magnetic substrates such as h-BN preserve the QAH phase with a Chern number <i>C</i> = 1, maintaining gapless chiral edge states. In contrast, ferromagnetic substrates introduce additional magnetic exchange fields and interfacial charge transfer, which significantly perturb the electronic structure of V<sub>2</sub>O<sub>3</sub> and shift the Fermi level, thereby destroying the QAH state. These findings establish substrate engineering as a pivotal strategy for experimental realization of dissipationless edge transport in V<sub>2</sub>O<sub>3</sub>-based vdW heterostructures, advancing their potential applications as low-power topological electronics.

Physical Chemistry Chemical PhysicsVol. 27(40)
Sun Yat-sen University (CN), Shenzhen University (CN), The Seventh Affiliated Hospital of Sun Yat-sen University (CN), Huizhou University (CN)
Openalex Percentile: Top 78%
Topological Materials and Phenomena
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