Publicatations

2022

• Heterogeneous relational message passing networks for molecular dynamics simulations

  Zun Wang, Chong Wang*, Sibo Zhao, Yong Xu, Shaogang Hao*, Chang Yu Hsieh, Bing-Lin Gu, Wenhui Duan*

  npj Computational Materials 8 , 1 (2022).

  DOI: 10.1038/s41524-022-00739-1

   

• Hydrostatic pressure-induced magnetic and topological phase transitions in the MnBi₂Te₄ family of materials

  Zhiming Xu, Meng Ye, Jiaheng Li, Wenhui Duan*, Yong Xu*

  Phys. Rev. B 105 , 085129 (2022).

  DOI: 10.1103/PhysRevB.105.085129

   

• Basic formulation and first-principles implementation of nonlinear magneto-optical effects

  Haowei Chen, Meng Ye, Nianlong Zou, Bing-Lin Gu, Yong Xu*, Wenhui Duan*

  Phys. Rev. B 105 , 075123 (2022).

  DOI: 10.1103/PhysRevB.105.075123

   

• Realizing quinary charge states of solitary defects in two-dimensional intermetallic semiconductor

  Jian Gou, Bingyu Xia, Xuguang Wang, Peng Cheng, Andrew Thye Shen Wee, Wenhui Duan, Yong Xu, Kehui Wu, Lan Chen

  National science review 9 , nwab070 (2022).

  DOI: 10.1093/nsr/nwab070

   

• Ubiquitous topological states of phonons in solids: Silicon as a model material

  Yizhou Liu, Nianlong Zou, Sibo Zhao, Xiaobin Chen*, Yong Xu*, Wenhui Duan

  Nano Lett. 4 , 2120 (2022).

  DOI: 10.1021/acs.nanolett.1c04299

   

2021

• Symmetry-adapted graph neural networks for constructing molecular dynamics force fields

  Zun Wang, Chong Wang*, Sibo Zhao, ShiQiao Du, Yong Xu, Bing-Lin Gu, WenHui Duan*

  Science China Physics, Mechanics & Astronomy 64 , 117211 (2021).

  DOI: 10.1007/s11433-021-1739-4

   

• Magnetic-field-induced robust zero Hall plateau state in MnBi₂Te₄ Chern insulator

  Chang Liu, Yongchao Wang, Ming Yang, Jiahao Mao, Hao Li, Yaoxin Li, Jiaheng Li, Haipeng Zhu, Junfeng Wang, Liang Li, Yang Wu, Yong Xu*, Jinsong Zhang*, Yayu Wang*

  Nat. Communi. 12, 1 (2021).

  DOI: 10.1038/s41467-021-25002-x

   

• Light-Tunable Surface State and Hybridization Gap in Magnetic Topological Insulator MnBi₈Te₁₃

  Haoyuan Zhong, Changhua Bao, Huan Wang, Jiaheng Li, Zichen Yin, Yong Xu, Wenhui Duan, Tian-Long Xia, Shuyun Zhou*

  Acc. Mater. Res. 2, 526 (2021).

  DOI: 10.1021/acs.nanolett.1c01448

   

• Ising Superconductivity and Its Hidden Variants

  Chong Wang, Yong Xu, Wenhui Duan*

  Nano Letters 21 , 6080 (2021).

  DOI: 10.1021/accountsmr.1c00068

   

• Intrinsic magnetic topological insulators

  Pinyuan Wang, Jun Ge, Jiaheng Li, Yanzhao Liu, Yong Xu, Jian Wang*

  The Innovation 2, 100098 (2021).

  DOI: 10.1016/j.xinn.2021.100098

   

• 2D materials: Rising star for future applications

  Xiaolong Zou, Yong Xu, and Wenhui Duan*

  The Innovation 2, 100115 (2021).

  DOI: 10.1016/j.xinn.2021.100115

   

• Valley Depolarization Dynamics in Monolayer Transition-Metal Dichalcogenides: Role of the Satellite Valley

  Shengnan Xu, Chen Si*, Yang Li, Bing-Lin Gu, and Wenhui Duan*

  Nano Lett. 21, 1785 (2021)

  DOI: 10.1021/acs.nanolett.0c04670

   

2020

• Anisotropic Full-Gap Superconductivity in 2M-WS₂ Topological Metal with Intrinsic Proximity Effect

  Chao-Sheng Lian*, Chen Si, and Wenhui Duan*

  Nano Lett. 21, 709 (2021)

  DOI: 10.1021/acs.nanolett.0c04357

   

• First-principles discovery of novel quantum physics and materials: From theory to experiment

  Yang Li, and Yong Xu*

  Comput. Mater. Sci. 190, 110262 (2021)

  DOI: 10.1016/j.commatsci.2020.110262

   

• Magnetic Moments Induced by Atomic Vacancies in Transition Metal Dichalcogenide Flakes

  Jun Ge, Tianchuang Luo, Zuzhang Lin, Jianping Shi, Yanzhao Liu, Pinyuan Wang, Yanfeng Zhang*, Wenhui Duan*, Jian Wang*

  Adv. Mater. 33, 2005465 (2021)

  DOI: 10.1002/adma.202005465

   

• Topological semimetals from the perspective of first-principles calculations

  Jiaheng Li, Zetao Zhang, Chong Wang, Huaqing Huang*, Bing-Lin Gu, and Wenhui Duan

  J. Appl. Phys. 128, 191101 (2020)

  DOI: 10.1063/5.0025396

   

• Hidden physical effects in noncentrosymmetric crystals

  Zuzhang Lin, Chong Wang*, Yong Xu*, and Wenhui Duan

  Phys. Rev. B 102, 165143 (2020).

  DOI: 10.1103/PhysRevB.102.165143

   

• Minimal phase-field crystal modeling of vapor-liquid-solid coexistence and transitions

  Zile Wang, Zhirong Liu*, Zhi-Feng Huang*, and Wenhui Duan*

  Phys. Rev. Materials 4, 103802 (2020)

  DOI: 10.1103/PhysRevMaterials.4.103802

   

• New physics in old material: Topological and superconducting properties of stanene

  Yong Xu

  Front. Phys. 15, 53202 (2020).

  DOI: 10.1007/s11467-020-1008-y

   

• High-Temperature Quantum Anomalous Hall Insulators in Lithium-Decorated Iron-Based Superconductor Materials

  Yang Li, Jiaheng Li, Yang Li, Meng Ye, Fawei Zheng, Zetao Zhang, Jingheng Fu, Wenhui Duan*, and Yong Xu*

  Phys. Rev. Lett. 125, 086401 (2020).

  DOI: 10.1103/PhysRevLett.125.086401

   

• Tunable interlayer magnetism and band topology in van der Waals heterostructures of MnBi₂Te₄-family materials

  Zhe Li, Jiaheng Li, Ke He*, Xiangang Wan, Wenhui Duan, and Yong Xu*

  Phys. Rev. B 102, 081107 (R) (2020).

  DOI: 10.1103/PhysRevB.102.081107

   

• Hexagonal rare-earth manganites and ferrites: a review of improper ferroelectricity, magnetoelectric coupling, and unusual domain walls

  Menglei Li*, Hengxin Tan, and Wenhui Duan

  Phys. Chem. Chem. Phys. 22, 14415 (2020).

  DOI: 10.1039/D0CP02195D

   

• Nodal Flexible-surface Semimetals: Case of Carbon Nanotube Networks

  Shizhang Chen, Siwei Li, Yuanping Chen*, and Wenhui Duan*

  Nano Lett. 20, 5400(2020).

  DOI: 10.1021/acs.nanolett.0c01786

   

• Berry curvature engineering by gating two-dimensional antiferromagnets

  Shiqiao Du, Peizhe Tang*, Jiaheng Li, Zuzhang Lin, Yong Xu*, Wenhui Duan*, and Angel Rubio*

  Phys. Rev. Research 2, 022025(R) (2020).

  DOI: 10.1103/PhysRevResearch.2.022025

   

• High-Chern-number and high-temperature quantum Hall effect without Landau levels

  Jun Ge, Yanzhao Liu, Jiaheng Li, Hao Li, Tianchuang Luo, Yang Wu, Yong Xu*, Jian Wang*

  Natl. Sci. Rev. 7, 1280 (2020).

  DOI: 10.1093/nsr/nwaa089

   

• Spin-Triplet Excitonic Insulator: The Case of Semihydrogenated Graphene

  Zeyu Jiang, Wenkai Lou, Yu Liu, Yuanchang Li*, Haifeng Song, Kai Chang, Wenhui Duan, and Shengbai Zhang

  Phys. Rev. Lett. 124, 166401 (2020).

  DOI: 10.1103/PhysRevLett.124.166401

   

• Giant enhancement of solid solubility in monolayer alloys by selective orbital coupling

  Shiqiao Du, Jianfeng Wang, Lei Kang, Bing Huang*, and Wenhui Duan

  Phys. Rev. B 101, 054201 (2020).

  DOI: 10.1103/PhysRevB.101.054201

   

• Robust axion insulator and Chern insulator phases in a two-dimensional antiferromagnetic topological insulator

  Chang Liu, Yongchao Wang, Hao Li, Yang Wu, Yaoxin Li, Jiaheng Li, Ke He, Yong Xu*, Jinsong Zhang*, and Yayu Wang*

  Nature Mater. 19, 522 (2020).

  DOI: 10.1038/s41563-019-0573-3

   

2019

• Single anisotropic gap superconductivity and proximity effect in PbTaSe₂

  Chao-Sheng Lian, Chen Si*, and Wenhui Duan*

  Phys. Rev. B 100, 235420 (2019).

  DOI: 10.1103/PhysRevB.100.235420

   

• Evidence of charge density wave with anisotropic gap in a monolayer VTe₂ film

  Yuan Wang, Junhai Ren, Jiaheng Li, Yujia Wang, Huining Peng, Pu Yu, Wenhui Duan*, and Shuyun Zhou*

  Phys. Rev. B 100, 241404(R) (2019).

  DOI: 10.1103/PhysRevB.100.241404

   

• Magnetic anisotropy of the two-dimensional ferromagnetic insulator MnBi₂Te₄

  Yang Li, Zeyu Jiang, Jiaheng Li, ShengNan Xv, and Wenhui Duan*

  Phys. Rev. B 100, 134438 (2019).

  DOI: 10.1103/PhysRevB.100.134438

   

• Rashba splitting in bilayer transition metal dichalcogenides controlled by electronic ferroelectricity

  Zuzhang Lin, Chen Si*, Shaorong Duan, Chong Wang, and Wenhui Duan

  Phys. Rev. B 100, 155408 (2019).

  DOI: 10.1103/PhysRevB.100.155408

   

• Type-II Ising Superconductivity in Two-Dimensional Materials with Spin-Orbit Coupling

  Chong Wang, Biao Lian, Xiaomi Guo, Jiahao Mao, Zetao Zhang, Ding Zhang, Bing-Lin Gu, Yong Xu*, and Wenhui Duan

  Phys. Rev. Lett. 123, 126402 (2019).

  DOI: 10.1103/PhysRevLett.123.126402

   

• Topological Phononics: From Fundamental Models to Real Materials

  Yizhou Liu*, Xiaobin Chen*, Yong Xu*

  Adv. Func. Mater. 30, 1904784 (2020).

  DOI: 10.1002/adfm.201904784

   

• Magnetically controllable topological quantum phase transitions in the antiferromagnetic topological insulator MnBi₂Te₄

  Jiaheng Li, Chong Wang, Zetao Zhang, Bing-Lin Gu, Wenhui Duan*, and Yong Xu*

  Phys. Rev. B 100, 121103(R) (2019).

  DOI: 10.1103/PhysRevB.100.121103

   

• Electronic structure of molecular beam epitaxy grown 1T'-MoTe₂ film and strain effect

  Xue Zhou, Zeyu Jiang, Kenan Zhang, Wei Yao, Mingzhe Yan, Hongyun Zhang, Wenhui Duan, and Shuyun Zhou*

  Chinese Phys. B 28, 107307 (2019).

  DOI: 10.1088/1674-1056/ab43ba

   

• Understanding the origin of bandgap problem in transition and post-transition metal oxides

  Hengxin Tan, Haitao Liu, Yuanchang Li*, Wenhui Duan, and Shengbai Zhang

  J. Chem. Phys. 151, 124703 (2019).

  DOI: 10.1063/1.5111188

   

• Visualization of Dopant Oxygen Atoms in a Bi₂Sr₂CaCu₂O_2+δ Superconductor

  Dongsheng Song, Xuefeng Zhang, Chao-Sheng Lian Hai Liu, Ioannis Alexandrou, Ivan Lazic, Eric G. T. Bosch, Ding Zhang, Lili Wang, Rong Yu, Zhiying Cheng, Canli Song, Xucun Ma, Wenhui Duan*, Qi-Kun Xue, Jing Zhu*

  Adv. Funct. Mater. 29, 1903843 (2019).

  DOI: 10.1002/adfm.201903843

   

• First-principles calculation of optical responses based on nonorthogonal localized orbitals

  Chong Wang, Sibo Zhao, Xiaomi Guo, Xinguo Ren, Bing-Lin Gu, Yong Xu, and Wenhui Duan

  New J. Phys. 21, 093001 (2019).

  DOI: 10.1088/1367-2630/ab3c9c

   

• Dimensional Crossover and Topological Phase Transition in Dirac Semimetal Na₃Bi Films

  Huinan Xia, Yang Li, Min Cai, Le Qin, Nianlong Zou, Lang Peng, Wenhui Duan, Yong Xu*, Wenhao Zhang*, and Ying-Shuang Fu*

  ACS Nano 13, 9647 (2019).

  DOI: 10.1021/acsnano.9b04933

   

• Landau quantization of nearly degenerate bands and full symmetry classification of Landau level crossings

  Chong Wang, Wenhui Duan, Leonid Glazman, and A. Alexandradinata

  Phys. Rev. B 100, 014442 (2019).

  DOI: 10.1103/PhysRevB.100.014442

   

• Half-Excitonic Insulator: A Single-Spin Bose-Einstein Condensate

  Zeyu Jiang, Yuanchang Li*, Wenhui Duan, and Shengbai Zhang

  Phys. Rev. Lett. 122, 236402 (2019).

  DOI: 10.1103/PhysRevLett.122.236402

   

• Coexistence of Superconductivity with Enhanced Charge Density Wave Order in the Two-Dimensional Limit of TaSe₂

  Chao-Sheng Lian, Christoph Heil, Xiaoyu Liu, Chen Si*, Feliciano Giustino, and Wenhui Duan*

  J. Phys. Chem. Lett. 10, 4076 (2019).

  DOI: 10.1021/acs.jpclett.9b01480

   

• Three-Dimensional Topological States of Phonons with Tunable Pseudospin Physics

  Yizhou Liu, Yong Xu*, and Wenhui Duan

  Research 2019, 5173580 (2019).

  DOI: 10.34133/2019/5173580

   

• Continuous, Ultra-lightweight, and Multipurpose Super-aligned Carbon Nanotube Tapes Viable over a Wide Range of Temperatures

  Xiang Jin, Hengxin Tan, Zipeng Wu, Jiecun Liang, Wentao Miao, Chao-Sheng Lian, Jiangtao Wang, Kai Liu*, Haoming Wei, Chen Feng, Peng Liu, Yang Wei, Qunqing Li, Jiaping Wang, Liang Liu, Xide Li*, Shoushan Fan, Wenhui Duan*, and Kaili Jiang*

  Nano Lett. 19, 6756 (2019)

  DOI: 10.1021/acs.nanolett.9b01629

   

• Intrinsic magnetic topological insulators in van der Waals layered MnBi₂Te₄-family materials

  Jiaheng Li, Yang Li, Shiqiao Du, Zun Wang, Bing-Lin Gu, Shou-Cheng Zhang*, Ke He*, Wenhui Duan*, and Yong Xu*

  Sci. Adv. 5, eaaw5685 (2019).

  DOI: 10.1126/sciadv.aaw5685

   

• Experimental Realization of an Intrinsic Magnetic Topological Insulator

  Yan Gong, Jingwen Guo, Jiaheng Li, Kejing Zhu, Menghan Liao, Xiaozhi Liu, Qinghua Zhang, Lin Gu, Lin Tang, Xiao Feng, Ding Zhang, Wei Li, Canli Song, Lili Wang, Pu Yu, Xi Chen, Yayu Wang, Hong Yao, Wenhui Duan, Yong Xu*, Shou-Cheng Zhang, Xucun Ma, Qi-Kun Xue*, and Ke He*

  Chinese Phys. Lett. 36, 076801 (2019).

  DOI: 10.1088/0256-307x/36/7/076801

   

• Small transition-metal dichalcogenide nanostructures down to subnanometer by two-dimensional material origami

  Wen Zhao, Xibiao Ren, Bo Wang, Chuanhong Jin, Wenhui Duan*, and Feng Ding*

  Phys. Rev. Materials 3, 056001 (2019)

  DOI: 10.1103/PhysRevMaterials.3.056001

   

• Manipulate the Electronic and Magnetic States in NiCo₂O₄ Films through Electric‐Field‐Induced Protonation at Elevated Temperature

  Meng Wang, Xuelei Sui, Yujia Wang, Yung‐Hsiang Juan, Yingjie Lyu, Huining Peng, Tongtong Huang, Shengchun Shen, Chenguang Guo, Jianbing Zhang, Zhuolu Li, Hao‐Bo Li, Nianpeng Lu, Alpha T. N'Diaye, Elke Arenholz, Shuyun Zhou, Qing He, Ying‐Hao Chu, Wenhui Duan*, Pu Yu*

  Adv. Mater. 31, 1900458 (2019).

  DOI: 10.1002/adma.201900458

   

• Prediction of Stoner-Type Magnetism in Low-Dimensional Electrides

  Xuelei Sui, Jianfeng Wang*, and Wenhui Duan*

  J. Phys. Chem. C 123, 5003 (2019).

  DOI: 10.1021/acs.jpcc.8b10379

   

• Elastic Properties and Fracture Behaviors of Biaxially Deformed, Polymorphic MoTe₂

  Yufei Sun, Jinbo Pan, Zetao Zhang, Kenan Zhang, Jing Liang, Weijun Wang, Zhiquan Yuan, Yukun Hao, Bolun Wang, Jingwei Wang, Yang Wu, Jingying Zheng, Liying Jiao, Shuyun Zhou, Kaihui Liu, Chun Cheng, Wenhui Duan, Yong Xu*, Qimin Yan*, and Kai Liu*

  Nano Lett. 19, 761 (2019).

  DOI: 10.1021/acs.nanolett.8b03833

   

• Pressure-induced Lifshitz transition in the type II Dirac semimetal PtTe₂

  Fengliang Liu, Jiaheng Li, Ke-nan Zhang, Shang Peng, Huaqing Huang, Mingzhe Yan, Na-na Li, Qian Zhang, Songhao Guo, Xujie Lv, Peng Cai, Lifeng Yin, Shuyun Zhou, Wenhui Duan*, Jian Shen*, and Wen-ge Yang*

  Sci. China Phys. Mech. 62, 48211 (2019).

  DOI: 10.1007/s11433-018-9319-3