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Janus VAZ(3)H (A = Si, Ge; Z = N, P) single layers exhibiting valley polarization, magnetic anisotropy, and topological transition #MMPMID41347402
Yang Y; Cao Y; Zhang SJ; Xie L; Lu H
Phys Chem Chem Phys 2025[Dec]; ? (?): ? PMID41347402show ga
Using first-principles calculations, we explore the electronic and topological properties of Janus VAZ(3)H single layers (A = Si, Ge; Z = N, P) that are dynamically and thermally stable. In the strain-free state, VSiN(3)H, VSiP(3)H, and VGeN(3)H demonstrate direct bandgap ferrovalley (FV) semiconducting properties, while VGeP(3)H displays an indirect bandgap. The easy magnetization axis varies among these materials, with VSiN(3)H and VGeN(3)H preferring in-plane magnetization, whereas VSiP(3)H and VGeP(3)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 1e(2)/h and a Chern number of 1. These results highlight the tunability of VAZ(3)H SLs through strain engineering, providing a potential platform for valleytronic and topological applications.
Phys+Chem+Chem+Phys 2025 ; ? (?): ?
