Insight into the quantum anomalous Hall states in two-dimensional kagome Cr3Se4 and Fe3S4 monolayers

Lian, Huijie; Xu, Xiaokang; Han, Ying; Li, Jie; Zhou, Wenqi; Yao, Xiaojing; Lu, Jinlian; Zhang, Xiuyun

doi:10.1039/d3nr03582d

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Nanoscale

2023

DOI: 10.1039/d3nr03582d

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Insight into the quantum anomalous Hall states in two-dimensional kagome Cr₃Se₄ and Fe₃S₄ monolayers

Huijie Lian,

Xiaokang Xu,

Ying Han

et al.

Abstract: To realize quantum anomalous Hall (QAH) effect in two-dimensional (2D) intrinsic magnetic materials, which combines insulating bulk state and metallic edge channel states, is still challenging in experiment. Here, based...

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2024

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Cited by 3 publications

References 75 publications

(91 reference statements)

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Density Functional Theory Prediction of Room-Temperature Two-Dimensional Ferromagnetic Materials for Applications as Spintronic Devices

Liu,

Wang,

Wang

et al. 2024

ACS Appl. Nano Mater.

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Currently, two-dimensional (2D) ferromagnetic (FM) materials have become one type of promising spintronic devices. However, the practical applications of 2D FM materials are severely hampered by low Curie temperature (T C ), which emphasizes the urgent need to design high-temperature 2D ferromagnets. Herein, we predict two stable Kagome-latticed Ti 3 X 4 (X = S or Se) monolayers using first-principles calculations and investigate their stability, electronic structures, and magnetism. The Ti 3 S 4 monolayer is a robust FM bipolar magnetic semiconductor with a band gap of 0.41 eV, and the Ti 3 Se 4 monolayer is a FM half metal (HM) with a band gap in the spin-down channel of 0.44 eV. Monte Carlo simulations indicate that both Ti 3 S 4 and Ti 3 Se 4 monolayers exhibit above-room-temperature T C s of 382 and 436 K, respectively. Interestingly, the FM−antiferromagnetic transition and HM-to-semiconductor transition are found under tensile strains. Our findings propose an effective platform to design promising FM candidates for potential spintronic devices.

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Density Functional Theory Prediction of Room-Temperature Two-Dimensional Ferromagnetic Materials for Applications as Spintronic Devices

Liu,

Wang,

Wang

et al. 2024

ACS Appl. Nano Mater.

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2D MnTiX2 (X = F/Cl/Br) monolayers: Robust valley-polarized quantum anomalous Hall insulators with high transition temperatures and wide bandgaps

Duan,

Xu,

Mao

et al. 2024

Applied Physics Letters

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The valley-polarized quantum anomalous Hall (VP-QAH) materials, which combine valley polarization and the quantum anomalous Hall (QAH) effect, are of both fundamental and technological importance due to their potential applications for nanoscale devices. Here, we explored the stability, magnetic, and topological properties of two-dimensional MnTiX2 (X = F/Cl/Br) monolayers based on first-principles calculations. Our results show that all the structures have robust antiferromagnetic orders with large magnetic anisotropic energies and high transition temperatures (480–670 K). In the absence of spin–orbital coupling (SOC), the MnTiX2 monolayers represent antiferromagnetic quadratic crossing semimetals. In the presence of SOC, the quadratic crossing points of the systems are opened with sizable bandgaps (> 0.5 eV), and they are transformed to be QAH insulators with |C| = 1. Moreover, the MnTiF2 monolayer is found to be a spontaneous VP-QAH semiconductor due to the time reversal symmetry and inversion symmetry being broken. These insights provide an ideal platform for achieving VP-QAH materials for dissipationless transport and quantum computing.

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Realization of Yin–Yang kagome bands and tunable quantum anomalous Hall effect in monolayer V3Cl6

Chen,

Lu,

Zhao

et al. 2024

Applied Physics Letters

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Kagome materials serve as crucial platforms for investigating the quantum anomalous Hall effect (QAHE) due to the presence of kagome bands in their electronic structures. However, despite the theoretical predictions being proposed, kagome band material realizations have been limited. In this work, through tight-binding (TB) model analysis, by setting the nearest-neighbor hopping integrals with opposite signs, we propose a Yin–Yang kagome band structure characterized by two stable enantiomorphic kagome bands. Furthermore, we design a monolayer V3Cl6 to confirm the TB model. Three V atoms are located in different coordination environments in V3Cl6, so opposite signs of the hopping integrals between two of their orthogonal d orbitals can be achieved, which is the key to realize Yin–Yang kagome band structures. The calculated band structures obtained from first principles are consistent with those from the TB model. Additionally, we find that the two enantiomorphic flat bands in monolayer V3Cl6 possess opposite Chern number after spin–orbit coupling is considered, which can also be confirmed from symmetry index analysis. The Chern numbers as well as the topological properties can be modulated by doping hole or adjusting the magnetization directions, so the QAHE can be tuned in monolayer V3Cl6. Our results provide a practicable pathway for realizing Yin–Yang kagome band structures and achieving tunable QAHE in them.

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Insight into the quantum anomalous Hall states in two-dimensional kagome Cr₃Se₄ and Fe₃S₄ monolayers

Abstract: To realize quantum anomalous Hall (QAH) effect in two-dimensional (2D) intrinsic magnetic materials, which combines insulating bulk state and metallic edge channel states, is still challenging in experiment. Here, based...

Cited by 3 publications

References 75 publications

Density Functional Theory Prediction of Room-Temperature Two-Dimensional Ferromagnetic Materials for Applications as Spintronic Devices

Density Functional Theory Prediction of Room-Temperature Two-Dimensional Ferromagnetic Materials for Applications as Spintronic Devices

2D MnTiX2 (X = F/Cl/Br) monolayers: Robust valley-polarized quantum anomalous Hall insulators with high transition temperatures and wide bandgaps

Realization of Yin–Yang kagome bands and tunable quantum anomalous Hall effect in monolayer V3Cl6

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