Publications (23)
Discovery of Intrinsic Ferromagnetic Ferroelectricity in Transition Metal Halides Monolayer
Chengxi Huang, Yongping Du, Haiping Wu +3
The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multi-sta…
Magnetism in Graphene Systems
Erjun Kan, Zhenyu Li, Jinlong Yang
Graphene has attracted a great interest in material science due to its novel electronic structrues. Recently, magnetism discovered in graphene based systems opens the possibility o…
Quantum anomalous Hall effect in ferromagnetic transition metal halides
Chengxi Huang, Jian Zhou, Haiping Wu +3
The quantum anomalous Hall (QAH) effect is a novel topological spintronic phenomenon arising from inherent magnetization and spin-orbit coupling. Various theoretical and experiment…
Density functional analysis of the simultaneous charge/spin order and the associated Cu-Fe intersite charge transfer in LaCu3Fe4O12
Changhoon Lee, Erjun Kan, Myung-Hwan Whangbo
LaCu3Fe4O12 undergoes a phase transition at 393 K involving the spin order (SO) of the Fe sites and the charge order (CO) resulting in Cu-Fe intersite charge transfer. On the basis…
Optical Controllable Spin-Polarization in Two Dimensional Altermagnets via Robust Spin-Momentum Locking Excitons
Jiuyu Sun, Jinzhe Han, Yongping Du +1
Spin-momentum locking (SML) excitons in two-dimensional semiconductors are appealing to programmable optical control of spin-polarized carriers in ultrafast spintronics. To address…
Flexomagnetoelectric effect in Sr2IrO4 thin films
Xin Liu, Ting Hu, Yujun Zhang +14
Symmetry engineering is explicitly effective to manipulate and even create phases and orderings in strongly correlated materials. Flexural stress is universally practical to break…
Colossal Type-II Multiferroic Polarization Driven by Collinear Spin Orders
Chengxi Huang, Xinhai Tu, Jintao Jiang +2
Achieving strong magnetoelectric coupling (MEC) together with large ferroelectric polarization remains a central challenge in type-II multiferroics. In conventional spin-driven mul…
Moderate bandgap and high carrier mobility simultaneously realized in bilayer silicene by oxidation
Yan Qian, Erjun Kan, Kaiming Deng +1
Semiconductors simultaneously possessing high carrier mobility, moderate bandgap, and ambient environment stability are so important for the modern industry, and Si-based semicondu…
Graphene-like quaternary compound SiBCN: a new wide direct band gap semiconductor predicted by a first-principles study
Yan Qian, Haiping Wu, Erjun Kan +1
Due to the lack of two-dimensional silicon-based semiconductors and the fact that most of the components and devices are generated on single-crystal silicon or silicon-based substr…
Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach
H. J. Xiang, Bing Huang, Erjun Kan +2
Diamond silicon (Si) is the leading material in current solar cell market. However, diamond Si is an indirect band gap semiconductor with a large energy difference (2.4 eV) between…
Density functional theory analysis of the interplay between Jahn-Teller instability, uniaxial magnetism, spin arrangement, metal-metal interaction and spin-orbit coupling in Ca3CoMO6 (M = Co, Rh, Ir)
Yuemei Zhang, Erjun Kan, Hongjun Xiang +2
In the isostructural oxides Ca3CoMO6 (M = Co, Rh, Ir), the CoMO6 chains made up of face-sharing CoO6 trigonal prisms and MO6 octahedra are separated by Ca atoms. We analyzed the ma…
Transition between half-metal and ferromagnetic semiconductor induced by silicon vacancy in epitaxial silicene
Yan Qian, Erjun Kan, Kaiming Deng +1
Since the inevitability in experimental synthesis, defects show great importance to many materials. They will deeply regulate the properties of the materials, and then affect the f…
Semimetallic single atomic layer silicon allotrope with Dirac fermions
Haiping Wu, Yan Qian, Zhengwei Du +3
Materials with Dirac point are so amazing since the charge carriers are massless and have an effective speed of light. Among the reported two-dimensional silicon allotropes, no one…
Strong Edge Magnetism and Tunable Energy Gaps in Zigzag Graphene Quantum Dots with High Stability
Wei Hu, Yi Huang, Lin Lin +4
Graphene is a nonmagnetic semimetal and cannot be directly used as electronic or spintronic devices. We demonstrate that graphene quantum dots (GQDs) can exhibit strong edge magnet…
"Narrow" Graphene Nanoribbons Made Easier by Partial Hydrogenation
Hongjun Xiang, Erjun Kan, Su-Huai Wei +2
It is a challenge to synthesize graphene nanoribbons (GNRs) with narrow widths and smooth edges in large scale. Our first principles study on the hydrogenation of GNRs shows that t…
Stabilizing intrinsic defects in SnO
Gul Rahman, Naseem Ud Din, Victor M. Garcia-Suarez +1
TThe magnetism and electronic structure of Li-doped SnO are investigated using first-principles LDA/LDA calculations. We find that Li induces magnetism in SnO when…
Atomically thin mononitrides SiN and GeN: new two-dimensional semiconducting materials
Yan Qian, Zhengwei Du, Renzhu Zhu +3
Low-dimensional Si-based semiconductors are unique materials that can both match well with the Si-based electronics and satisfy the demand of miniaturization in modern industry. Ow…
Spin reorientation in the square-lattice antiferromagnets RMnAsO (R = Ce, Nd): Density functional analysis of the spin exchange interactions between the rare-earth and transition-metal ions
Changhoon Lee, Erjun Kan, Hongjun Xiang +4
The spin reorientation (SR) phenomenon of the square-lattice antiferromagnets RMnAsO (R = Ce, Nd) was investigated by analyzing the spin exchange interactions between the rare-eart…
Electric-field Switching of Interlayer Magnetic Order in a van der Waals Heterobilayer via Spin-potential Coupling
Chengxi Huang, Jinzhe Han, Jing Wang +7
Electric-field switching of magnetic order is of significant physical interest and holds great potential for spintronic applications. However, it has rarely been reported in two-di…
Substrate-induced half-metallic property in epitaxial silicene
Yan Qian, Erjun Kan, Kaiming Deng +1
For most practical applications in electronic devices, two-dimensional materials should be transferred onto semiconducting or insulating substrates, since they are usually generate…
Symmetry-Breaking Magneto-Optical Effects in Altermagnets
Jiuyu Sun, Yongping Du, Erjun Kan
The recently discovered altermagnets (AMs), hosting momentum-dependent spin splitting and vanishing net magnetization, have attracted intensive attention for their promising applic…
Built-in Electric-Field-Control of Magnetic Coupling in van der Waals semiconductors
Chengxi Huang, Jingtong Guan, Qiongyu Li +3
Electrical control of magnetism in a two-dimensional (2D) semiconductor is of great interest for emerging nanoscale low-dissipation spintronic devices. Here, we propose a general a…
Magnetic Structures Database from Symmetry-aided High-Throughput Calculations
Hanjing Zhou, Yuxuan Mu, Dingwen Zhang +7
Magnetic structures, which play a central role in determining their physical properties, are known for only very limited compounds. Traditional theoretical approaches to predicting…