Electronic Structure

给时光添色，莫虚度韶华

Published Papers

  1. Quasiparticle electronic structures and band offsets of the newly emerged two-dimensional materials: MSi2N4 (M=Ti, Zr, Hf, Cr, Mo, W). To be submitted
  2. Latent phase transition in PdSe2. To be submitted
  3. Advancing first-principles dielectric property prediction of complex microwave materials: An elementary unit-based approach. Submitted
  4. Interpretable model of dielectric property for rational design of microwave dielectric materials: A machine learning study. Submitted.
  5. Cheng Chen1, Feng-Qi Xu1, Yabei Wu1, Xin-Lin Li, Jie-Long Xu, Bin Zhao, Zhen He, Jiong Yang, Wenqing Zhang, Jian-Wei Liu*.
    Manipulating hetero-nanowire films for flexible and multifunctional thermoelectric devices
    Advanced Materials, (2024), accept
  6. Ya Yang*, Yabei Wu, Hailong Yan, Deyang Zhang, Canglong Li, Chen Chen, Jinbing Cheng, Tao Peng, Yang Lu, Yongsong Luo*
    An insulating and easy magnetization-plane magnet: the DFT+U and constrained electron population study of 1T-FeCl2. [pdf version]
    Computational Materials Science 233, 112752 (2024)
  7. Sitong Liu, Bo Liu*, Meidong Yu, Hanyu Gao, Haipeng Guo, Daguo Jiang, Shenbo Yang, Yufeng Wen*, and Yabei Wu
    First principles study of triazine-based covalent organic framework as a high capacity anode material for Na/K-ion batteries. [pdf version]
    Physical Chemistry Chemical Physics, 2024
  8. Zhao Tang, Greis J. Cruz, Fanhao Jia, Yabei Wu, Weiyi Xia, Peihong Zhang*
    Stacking up electron-rich and electron-deficient monolayers to achieve extraordinary mid- to far-infrared excitonic absorption: Interlayer excitons in the C3B/C3N bilayer. [pdf version]
    Physical Review Applied 19, 044085 (2023)
  9. Fan Zhang, Xueao Li, Yabei Wu, Xiaolong Wang, Jijun Zhao*, and Weiwei Gao*
    Giant Dzyaloshinskii-Moriya Interaction in Monolayer CrI3 on Metal Substrates. [pdf version]
    Physical Review B 106, L100407 (2022)
  10. Yabei Wu, Zhao Tang, Greis J. Cruz, Ya Yang, Wenqing Zhang, Wei Ren*, and Peihong Zhang*
    Exploiting the stereoelectronic effects for selective tuning of band edge states of \alpha-SnO: GW quasiparticle calculations. [pdf version]
    Physical Review B 106, 085201 (2022)
  11. Yabei Wu1, Zhao Tang1, Weiyi Xia, Weiwei Gao, Fanhao Jia, Yubo Zhang, Wenguang Zhu, Wenqing Zhang* & Peihong Zhang*
    Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSi2N4. [pdf version] 简报
    npj Computational Materials 8, 129 (2022)
  12. Zhao Tang, Greis J. Cruz, Yabei Wu, Weiyi Xia, Fanhao Jia, Wenqing Zhang, and Peihong Zhang*
    Giant Narrow-band Optical Absorption and Distinctive Excitonic Structures of Monolayer C3N and C3B. [pdf version]
    Physical Review Applied 17, 034068(2022)
  13. Chen Chen, Junjie Zeng, Yafei Ren, Le Fang, Yabei Wu, Peihong Zhang, Tao Hu, Jian Wang*, Zhenhua Qiao*, and Wei Ren*
    In-Plane Magnetization and Quantum Anomalous Hall Effect in BiFeO3/Graphene Superlattice. [pdf version]
    Applied Physics Letter 120, 084002 (2022)
  14. Hongliang Yang, Yifan Zhu, Erting Dong, Yabei Wu, Jiong Yang*, and Wenqing Zhang*
    Dual adaptive sampling and machine learning interatomic potentials for modeling materials with chemical bond hierarchy. [pdf version]
    Physical Review B, 104, 094310 (2021)
  15. Weiyi Xia, Weiwei Gao, Gabriel Lopez-Candales, Yabei Wu, Wei Ren, Wenqing Zhang, and Peihong Zhang*
    Combined sub-sampling and analytical integration for efficient large-scale GW calculations for 2D systems [pdf version]
    npj Computational Materials, 6, 118 (2020)
  16. Yabei Wu1, Weiyi Xia1, Yubo Zhang, Wenguang Zhu, Wenqing Zhang*, and Peihong Zhang*
    Remarkable Band-Gap Renormalization via Dimensionality of the Layered Material C3B [pdf version]
    Physical Review Applied, 14, 014073(2020)
  17. Tao Hu, Guodong Zhao, Heng Gao, Yabei Wu, Jisang Hong, Alessandro Stroppa, and Wei Ren*
    Manipulation of valley pseudospin in WSe2/CrI3 heterostructure by the magnetic proximity effect [pdf version]
    Physical Review B, 101, 125401(2020)
  18. Le Fang, Chen Chen, Yali Yang, Yabei Wu, Tao Hu, Guo-Dong Zhao, Qiang Zhu, and Wei Ren*
    First-principles studies of two-dimensional electron gas at the interface of polar/polar LaAlO3/KNbO3 superlattices [pdf version]
    Physical Chemistry Chemical Physics, 21, 8046-8053(2019)
  19. Yujuan Zhang1, Weiyi Xia1, Yabei Wu, and Peihong Zhang*
    Prediction of MXene based 2D tunable band gap semiconductors: GW quasiparticle calculations [pdf version]
    Nanoscale, 11, 3993(2019)
  20. Chao Liu, Tao Hu, Yabei Wu, Heng Gao, Yali Yang, and Wei Ren*
    Two-dimensional selenium allotropes from first principles and swarm intelligence [pdf version]
    Journal of Physics: Condensed Matter, 31, 235702(2019)
  21. Yabei Wu1, Weiyi Xia1, Weiwei Gao, Fanhao Jia, Peihong Zhang*, and Wei Ren*
    Quasiparticle electronic structure of honeycomb C3N: from monolayer to bulk [pdf version]
    2D Materials, 6, 015018 (2018)
  22. Weiwei Gao, Weiyi Xia, Yabei Wu, Wei Ren, Xiang Gao, and Peihong Zhang*
    Quasiparticle Band Structures of CuCl, CuBr, AgCl, and AgBr: The extreme case [pdf version]
    Physical Review B, 98, 045108 (2018)
  23. Ya Yang, Jihua Zhang, Shunbo Hu, Yabei Wu, Jincang Zhang, Wei Ren*, and Shixun Cao*
    First-principles study of Ga-vacancy induced magnetism in Beta-Ga2O3 [pdf version]
    Physical Chemistry Chemical Physics, 19, 28928 (2017).
  24. Yabei Wu, Weiyi Xia, Weiwei Gao, Wei Ren*, and Peihong Zhang*
    Engineering the near-edge electronic structure of SnSe through strains [pdf version] 简报
    Physical Review Appllied, 8, 034007 (2017). (Editors’ Suggestion)
  25. Ya Yang, Yabei Wu, Baojuan Kang, Zhenjie Feng, Jincang Zhang, Wei Ren, and Shixun Cao*
    Doping induced dimensionality reduction of the magnetic order in DyFe1-xInxO3 [pdf version]
    Journal of Alloys and Compounds, 695, 1699 (2017).
  26. Xiaolong Chen, Lin Wang, Yingying Wu, Heng Gao, Yabei Wu, Guanhua Qin, Zefei Wu, Yu Han, Shuigang Xu, Tianyi Han, Weiguang Ye, Jiangxiazi Lin, Gen Long, Yuheng He, Yuan Cai, Wei Ren, and Ning Wang*
    Probing the electronic states and impurity effects in black phosphorus vertical heterostructures [pdf version]
    2D Materials, 3, 015012 (2016).
  27. Shunbo Hu, Lei Chen, Yabei Wu, Liming Yu, Xinluo Zhao, Shixun Cao, Jincang Zhang, and Wei Ren*
    Selected multiferroic perovskite oxides containing rare earth and transition metal elements [pdf version]
    Chinese Science Bulletin, 59, 5170 (2014).

The superscript 1 indicates co-first authors.
First author: 10; Second author: 2; Third author: 6; Other: 9

Presentations

  1. 复杂氧化物微波介电性质的第一性原理计算：以类钨青铜为例，中国仪表功能材料学会电子元器件关键材料与技术专业委员会第一届青年学者论坛，特邀报告，2023年7月
  2. Yabei Wu, Weiyi Xia, Weiwei Gao, Fanhao Jia, Wei Ren*, and Peihong Zhang*, Electronic Properties of Monolayer and Bulk C3N: Fully converged GW quasiparticle calculations. American Physics Society March Meeting, 2018. Oral Presentation.
  3. Yabei Wu, Weiwei Gao, Weiyi Xia, Wei Ren*, and Peihong Zhang*, GW Calculations of Bulk and Few-layer SnO. American Physics Society March Meeting, 2017. Oral Presentation.
  4. Yabei Wu, Weiwei Gao, Weiyi Xia, Peihong Zhang*, and Wei Ren*, Electronic and structural phase transitions induced by uniaxial strains in monolayer SnSe. American Physics Society March Meeting, 2016. Oral Presentation.
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