151 citations · 640 across the 19 of their papers we have counts for
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Doubled Quantum Spin Hall Effect with High-Spin Chern Number in -Antimonene and -Bismuthene
Yingxi Bai, Linke Cai, Ning Mao +4
The discovery of quantum spin Hall effect has ignited the field of topological physics with vast variety of exotic properties. Here, we present the emergence of doubled quantum spi…
Single-Layer ScI2: A Paradigm for Valley-Related Multiple Hall Effect
Zhonglin He, Rui Peng, Ying Dai +2
Valley-related multiple Hall effect in two-dimensional lattice is of notable interest both for its fundamental physics and for its potential applications. In this work, by means of…
Hidden wallpaper fermion and third-order topological insulator
Ning Mao, Hao Wang, Ying Dai +2
Nonsymmorphic symmetry can induce exotic wallpaper fermions, e.g., hourglass fermion, fourfold-degenerate Dirac fermion, and Möbius fermion, as commonly believed only in nonsymmorp…
Anomalous valley Hall effect in antiferromagnetic monolayers
Wenhui Du, Rui Peng, Zhonglin He +3
Anomalous valley Hall (AVH) effect is a fundamental transport phenomenon in the field of condensed-matter physics. Usually, the research on AVH effect is mainly focused on 2D latti…
Spontaneous valley polarization in 2D organometallic lattice
Rui Peng, Zhonglin He, Qian Wu +3
2D ferrovalley materials that exhibit spontaneous valley polarization are both fundamentally intriguing and practically appealing to be used in valleytronic devices. Usually, the r…
Intertwined Ferroelectricity and Topological State in Two-Dimensional Multilayer
Yan Liang, Ning Mao, Ying Dai +3
The intertwined ferroelectricity and band topology will enable the non-volatile control of the topological states, which is of importance for nanoelectrics with low energy costing…
Intercorrelated ferroelectrics in 2D van der Waals materials
Yan Liang, Shiying Shen, Baibiao Haung +2
2D intercorrelated ferroelectrics, exhibiting a coupled in-plane and out-of-plane ferroelectricity, is a fundamental phenomenon in the field of condensed-mater physics. The current…
Prediction of Intrinsic Triferroicity in Two-Dimensional Lattice
Shiying Shena, Yandong Ma, Xilong Xu +3
Intrinsic triferroicity is essential and highly sought for novel device applications, such as high-density multistate data storage. So far, the intrinsic triferroicity has only bee…
High Throughput Screening of Transition Metal Binuclear Site for N2 Fixation
Xingshuai Lv, Wei Wei, Baibiao Huang +2
Great enthusiasm in single atom catalysts (SACs) for the N2 reduction reaction (NRR) has been aroused by the discovery of Metal (M)-Nx as a promising catalytic center. However,the…
Interlayer Coupling Effect in van der Waals Heterostructures of Transition Metal Dichalcogenides
Yuanyuan Wang, Fengping Li, Wei Wei +2
Van der Waals (vdW) heterobilayers formed by two-dimensional (2D) transition metal dichalcogenides (TMDCs) created a promising platform for various electronic and optical propertie…
Intrinsic Valley Polarization and Anomalous Valley Hall Effect in Single-Layer 2H-FeCl2
Pei Zhaos, Yandong Ma, Hao Wang +3
Valley, as a new degree of freedom for electrons, has drawn considerable attention due to its significant potential for encoding and storing information. Lifting the energy degener…
Two-dimensional ferroelastic semiconductors in Nb2SiTe4 and Nb2GeTe4 with promising electronic properties
Ting Zhang, Yandong Ma, Xilong Xu +3
Two-dimensional crystals with coupling of ferroelasticity and attractive electronic properties offer unprecedent opportunities for achieving long-sought controllable devices. But s…
Two-Dimensional Ferroelastic Topological Insulators in Single-Layer Janus Transition Metal Dichalcogenides MSSe (M=Mo, W)
Yandong Ma, Liangzhi Kou, Baibiao Huang +2
Two-dimensional topological insulators and two-dimensional materials with ferroelastic characteristics are intriguing materials and many examples have been reported both experiment…
Origin of the different conductive behavior in pentavalent-ion-doped anatase and rutile TiO
Kesong Yang, Ying Dai, Baibiao Huang +1
The electronic properties of pentavalent-ion (Nb, Ta, and I) doped anatase and rutile TiO are studied using spin-polarized GGA+\emph{U} calculations. Our c…
Review of the Structural Stability, Electronic and Magnetic Properties of Nonmetal-Doped TiO from First-Principles Calculations
Kesong Yang, Ying Dai, Baibiao Huang
This paper reviews and summarizes the recent first-principles theoretical studies of the structural stability, electronic structure, optical and magnetic properties of nonmetal-dop…
First-principles characterization of ferromagnetism in N-doped SrTiO3 and BaTiO3
Kesong Yang, Ying Dai, Baibiao Huang
The spin-polarization and magnetic coupling character of N-doped SrTiO3 and BaTiO3 are studied through first-principles calculations. The substitutional N doping at O sites leads t…
Density functional characterization of the antiferromagnetism in oxygen-deficient anatase and rutile TiO2
Kesong Yang, Ying Dai, Baibiao Huang +1
We present theoretical evidence for local magnetic moments on Ti3+ ions in oxygen-deficient anatase and rutile TiO2 observed in a recent experiment [S. Zhou, et al., Phys. Rev. B 7…