Janus VAZ <sub>3</sub> H (A = Si, Ge; Z = N, P) single layers exhibiting valley polarization, magnetic anisotropy, and topological transition

Using first-principles calculations, we explore the electronic and topological properties of Janus VAZ<sub>3</sub>H single layers (A = Si, Ge; Z = N, P) that are dynamically and thermally stable. In the strain-free state, VSiN<sub>3</sub>H, VSiP<sub>3</sub>H, and VGeN<sub>3</sub>H demonstrate direct bandgap ferrovalley (FV) semiconducting properties, while VGeP<sub>3</sub>H displays an indirect bandgap. The easy magnetization axis varies among these materials, with VSiN<sub>3</sub>H and VGeN<sub>3</sub>H preferring in-plane magnetization, whereas VSiP<sub>3</sub>H and VGeP<sub>3</sub>H favor out-of-plane magnetization. Furthermore, the electronic structure analysis reveals valley polarization at the K and K' points. When subjected to strain, these systems experience phase transitions, such as direct-to-indirect bandgap shift, the evolution from FV semiconducting to half-valley metal (HVM), and the emergence of a quantum anomalous Hall (QAH) phase within certain strain intervals. The QAH phase is identified by chiral edge states and quantized anomalous Hall conductivity (AHC), supported by an integer AHC plateau of 1<i>e</i><sup>2</sup>/<i>h</i> and a Chern number of 1. These results highlight the tunability of VAZ<sub>3</sub>H SLs through strain engineering, providing a potential platform for valleytronic and topological applications.

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Journal
Physical Chemistry Chemical Physics
Published
2025-11-27
DOI
https://doi.org/10.1039/d5cp02424b
Primary Topic
Topological Materials and Phenomena
Type
article
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article

Janus VAZ 3 H (A = Si, Ge; Z = N, P) single layers exhibiting valley polarization, magnetic anisotropy, and topological transition

Yuankui Cao, Luogang Xie, Hong‐Yan Lu, Shaojie Zhang et al.
Physical Chemistry Chemical Physics
Topological Materials and Phenomena
article

Janus VAZ 3 H (A = Si, Ge; Z = N, P) single layers exhibiting valley polarization, magnetic anisotropy, and topological transition

Yuankui Cao, Luogang Xie, Hong‐Yan Lu, Shaojie Zhang, Yang Yang
article en

Abstract

Using first-principles calculations, we explore the electronic and topological properties of Janus VAZ<sub>3</sub>H single layers (A = Si, Ge; Z = N, P) that are dynamically and thermally stable. In the strain-free state, VSiN<sub>3</sub>H, VSiP<sub>3</sub>H, and VGeN<sub>3</sub>H demonstrate direct bandgap ferrovalley (FV) semiconducting properties, while VGeP<sub>3</sub>H displays an indirect bandgap. The easy magnetization axis varies among these materials, with VSiN<sub>3</sub>H and VGeN<sub>3</sub>H preferring in-plane magnetization, whereas VSiP<sub>3</sub>H and VGeP<sub>3</sub>H favor out-of-plane magnetization. Furthermore, the electronic structure analysis reveals valley polarization at the K and K' points. When subjected to strain, these systems experience phase transitions, such as direct-to-indirect bandgap shift, the evolution from FV semiconducting to half-valley metal (HVM), and the emergence of a quantum anomalous Hall (QAH) phase within certain strain intervals. The QAH phase is identified by chiral edge states and quantized anomalous Hall conductivity (AHC), supported by an integer AHC plateau of 1<i>e</i><sup>2</sup>/<i>h</i> and a Chern number of 1. These results highlight the tunability of VAZ<sub>3</sub>H SLs through strain engineering, providing a potential platform for valleytronic and topological applications.

Physical Chemistry Chemical PhysicsVol. 28(1)
Qufu Normal University (CN), Zhengzhou University of Light Industry (CN)
Openalex Percentile: Top 71%
Topological Materials and Phenomena
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Janus VAZ <sub>3</sub> H (A = Si, Ge; Z = N, P) single layers exhibiting valley polarization, magnetic anisotropy, and topological transition — Yuankui Cao, Luogang Xie, et al. · Physical Chemistry Chemical Physics (2025) | TGRS Research Map | TGRS