2021

• Jin Cao, Maoyuan Wang, Shi-Feng Qian, Cheng-Cheng Liu, and Yugui Yao,
  Ab initio four-band Wannier tight-binding model for generic twisted graphene systems,
  Physical Review B 104, L081403 (2021)
  Link

• Li Luo, Hai-Xiao Wang, Zhi-Kang Lin, Bin Jiang, Ying Wu, Feng Li* and Jian-Hua Jiang*,
  Observation of a phononic higher-order Weyl semimetal,
  Nature Materials 20(6): 794-799 (2021)
  Link

• Huifang Du, Yanfeng Ge, Jinlong Zhu*, Wei Guo* and Yugui Yao,
  Pressure-induced novel nitrogen-rich aluminum nitrides: $\mathrm{AlN}_6$, $\mathrm{Al}_2\mathrm{N}_7$ and $\mathrm{AlN}_7$ with polymeric nitrogen chains and rings,
  Phys. Chem. Chem. Phys. 23, 12350-12359 (2021)
  Link

• Zhen Chi, Xiang Zhang, Xiewen Wen, Junfeng Han, Zheng Wei, Luojun Du, Jiawei Lai, Xiangzhuo Wang, Guangyu Zhang, Qing Zhao, Hailong Chen*, Pulickel M. Ajayan*, and Yu-Xiang Weng,
  Determining Quasiparticle Bandgap of Two-Dimensional Transition Metal Dichalcogenides by Observation of Hot Carrier Relaxation Dynamics,
  J. Phys. Chem. Letters 12, 585−591 (2021)
  Link

• Lu Qiao, Xiaolu Xiong, Huixia Yang, Dongyun Chen, Yongkai Li, Ji Li, Xianglin Peng, Zhi Xu, Junfeng Han*, Wende Xiao*, and Yugui Yao,
  Ultralong Single-Crystal $\alpha$‑$\mathrm{Bi}_4\mathrm{Br}_4$ Nanobelts with a High Current Carrying Capacity by Mechanical Exfoliation,
  J. Phys. Chem. C 125, 22312−22317 (2021)
  Link

• Xianglin Peng, Xu Zhang, Xu Dong, Dashuai Ma, Dongyun Chen, Yongkai Li, Ji Li, Junfeng Han, Zhiwei Wang, Cheng-Cheng Liu, Jinjian Zhou, Wende Xiao*, and Yugui Yao*,
  Observation of Topological Edge States on $\alpha$‑$\mathrm{Bi}_4\mathrm{Br}_4$ Nanowires Grown on $\mathrm{TiSe}_2$ Substrates,
  J. Phys. Chem. Letters 12, 10465−10471 (2021)
  Link

• Xianglin Peng, Hui Liang, Xu Dong, Huixia Yang, Xiangzhuo Wang, Lu Qiao, Ji Li, Chang Wang, Junfeng Han, Qinsheng Wang, Genfu Chen and Wende Xiao*,
  Epitaxial growth of $\mathrm{Bi}$($110$) and $\mathrm{Bi}_2\mathrm{Se}_3$ thin films on a ferromagnetic insulator substrate of $\mathrm{Cr}_2\mathrm{Ge}_2\mathrm{Te}_6$,
  J. Phys.: Condens. Matter 33, 415001 (2021)
  Link

• Ping Wang, Bin Guo, Zhi Zhang, Weinan Gao, Wei Zhou, Huaxin Ma, Wenyu Wu, Junfeng Han*, Ruijun Zhang*,
  Eco-friendly non-acid intercalation and exfoliation of graphite to graphene nanosheets in the binary-peroxidant system for EMI shielding,
  Chinese Chemical Letters 32(11), 3469-3473 (2021)
  Link

• Xiangzhuo Wang, Renyi Li, Huixia Yang, Jingchuan Zheng, Yongkai Li, Peng Zhu, Tinglu Song, Wei Guo, Qinsheng Wang, Junfeng Han*, Wende Xiao*,
  Epitaxial growth of atomically thick $\mathrm{WSe}_2$ nanoribbons,
  Vacuum 189, 110254 (2021)
  Link

• Xiangyu Zhou, Qihao Zhang, Xian-shang Luo, Xu Zhang, Yetong Wu, Yujiu Jiang, Muhua Huang, Tinglu Song, Yanbo Yang*, Junfeng Han*,
  Drop-coated $\mathrm{C}_2\mathrm{N}$ electrode for Hydrogen Evolution Reaction,
  Materials Letters 309, 131428 (2021)
  Link

• Xiaolu Xiong, Junfeng Han*, Yu Chen, Shanshan Li, Wende Xiao and Qingfan Shi*,
  DNA rearrangement on the octadecylamine modified graphite surface by heating and ultrasonic treatment,
  Nanotechnology 32, 055601 (2021)
  Link

• Chuli Sun, Wei Guo*, Jinlong Zhu*, Xiang Li and Yugui Yao,
  High-energy-density polymeric carbon oxide: Layered $\mathrm{C}_x\mathrm{O}_y$ solids under pressure,
  Physical Review B 104, 094102 (2021)
  Link

• Siwei Xue, Maoyuan Wang, Yong Li, Shuyuan Zhang, Xun Jia, Jianhui Zhou*, Youguo Shi, Xuetao Zhu, Yugui Yao, and Jiandong Guo,
  Observation of Nodal-Line Plasmons in $\mathrm{ZrSiS}$,
  Physical Review Letters 127, 186802 (2021)
  Link

• Siyao Gu, Kaixuan Fan, Yang Yang, Hong Wang, Yongkai Li, Fanming Qu, Guangtong Liu, Zian Li, Zhiwei Wang*, Yugui Yao, Jianqi Li, Li Lu, and Fan Yang,
  Classical linear magnetoresistance in exfoliated $\mathrm{NbTe}_2$ nanoflakes,
  Physical Review B 104, 115203 (2021)
  Link

• Zhiwei Wang*, YuXiao Jiang*, JiaXinYin*, Yongkai Li*, GuanYong Wang, Hai-Li Huang, Shen Shao, Jinjin Liu, Peng Zhu, Nana Shumiya, Md Shafayat Hossain, Hongxiong Liu, Youguo Shi, Junxi Duan, Xiang Li, Guoqing Chang, Pengcheng Dai, Zijin Ye, Gang Xu, Yanchao Wang, Hao Zheng, Jinfeng Jia, M. Zahid Hasan, and Yugui Yao,
  Electronic nature of chiral charge order in the kagome superconductor $\mathrm{CsV}_3\mathrm{Sb}_5$,
  Physical Review B 104, 075148 (2021)
  Link

• JingZhi Fang*, Shuo Wang*, Xing-Guo Ye*, Ben-Chuan Lin, AnQi Wang, HaoNan Cui, JianKun Wang, GuangYu Zhu, Song Liu, Yongkai Li, Zhiwei Wang, Yugui Yao, Zhongming Wei, Dapeng Yu, and ZhiMin Liao,
  Intermediate anomalous Hall states induced by noncollinear spin structure in the magnetic topological insulator $\mathrm{MnBi}_2\mathrm{Te}_4$,
  Physical Review B 104, 054409 (2021)
  Link

• Kosuke Nakayama*, Yongkai Li*, Takemi Kato, Min Liu, Zhiwei Wang, Takashi Takahashi, Yugui Yao, and Takafumi Sato,
  Multiple energy scales and anisotropic energy gap in the charge-density-wave phase of the kagome superconductor $\mathrm{CsV}_3\mathrm{Sb}_5$,
  Physical Review B 104, L161112 (2021)
  Link

• Xiaoxiang Zhou*, Yongkai Li*, Xinwei Fan*, Jiahao Hao, Yaomin Dai, Zhiwei Wang, Yugui Yao, and HaiHu Wen,
  Origin of charge density wave in the kagome metal $\mathrm{CsV}_3\mathrm{Sb}_5$ as revealed by optical spectroscopy,
  Physical Review B 104, L041101 (2021)
  Link

• Xiuxian Yang, Xiaodong Zhou, Wanxiang Feng*, and Yugui Yao,
  Strong magneto-optical effect and anomalous transport in the two-dimensional van derWaals magnets ${\mathrm{Fe}}_{n}{\mathrm{GeTe}}_{2}$ ($n = 3, 4, 5$),
  Physical Review B 104, 104427 (2021)
  Link

• Run-Wu Zhang, Xiaodong Zhou, Zeying Zhang, Da-Shuai Ma, Zhi-Ming Yu, Wanxiang Feng, and Yugui Yao,
  Weyl Monoloop Semi-Half-Metal and Tunable Anomalous Hall Effect,
  Nano Letters 21, 8749-8755 (2021)
  Link

• Run-Wu Zhang, Da-shuai Ma, Jian-Min Zhang, and Yugui Yao,
  Weyl nodal-line surface half-metal in $\mathrm{CaFeO}_3$,
  Physical Review B 103, 195115 (2021)
  Link

• Zeying Zhang, Zhi-Ming Yu, Gui-Bin Liu* and Yugui Yao*,
  Tight-Binding Model of Magnetic and Non-Magnetic Materials,
  Comput. Phys. Commun. 270, 108153 (2021)
  Link

• Xiaodong Zhou, Run-Wu Zhang, Zeying Zhang, Wanxiang Feng*, Yuriy Mokrousov, and Yugui Yao,
  Sign-reversible valley-dependent Berry phase effects in $2$D valley-half-semiconductors,
  npj Computational Materials 7, 160 (2021)
  Link

• Xiaodong Zhou, Wanxiang Feng*, Xiuxian Yang, Guang-Yu Guo, and Yugui Yao*,
  Crystal chirality magneto-optical effects in collinear antiferromagnets,
  Physical Review B 104, 024401 (2021)
  Link

• Zhi-Ming Yu, Zeying Zhang, Gui-Bin Liu, Weikang Wu, Xiao-Ping Li, Run-Wu Zhang, Shengyuan A. Yang, Yugui Yao*,
  Encyclopedia of emergent particles in three-dimensional crystals,
  Science Bulletin (2021)
  Link

• Ying Xiang, Qing Li, Yongkai Li, Wei Xie, Huan Yang, Zhiwei Wang, Yugui Yao & Hai-Hu Wen,
  Twofold symmetry of c-axis resistivity in topological kagome superconductor $\mathrm{CsV}_3\mathrm{Sb}_5$ with in-plane rotating magnetic field,
  Nature Communications 12, 6727 (2021)
  Link

• Xiuxian Yang , Xiaodong Zhou, Wanxiang Feng and Yugui Yao，
  Tunable magneto-optical effect, anomalous Hall effect, and anomalous Nernst effect in the two-dimensional room-temperature ferromagnet $1$T-$\mathrm{CrTe}_2$,
  Physical Review B 103, 024436 (2021)
  Link

• Chang-Yin Ji，Shanshan Chen, Yu Han, Xing Liu, Juan Liu，Jiafang Li*，Yugui Yao*，
  Artificial Propeller Chirality and Counterintuitive Reversal of Circular Dichroism in Twisted Meta-molecules，
  Nano Letters 21, 6828-6834 (2021).
  Link

• Bing Xu, Y. Zhang, E. H. Alizade, Z. A. Jahangirli, F. Lyzwa, E. Sheveleva, P. Marsik, Y. K. Li, Y. G. Yao, Z. W. Wang, B. Shen, Y. M. Dai, V. Kataev, M. M. Otrokov, E. V. Chulkov, N. T. Mamedov, and C. Bernhard，
  Infrared study of the multiband low-energy excitations of the topological antiferromagnet $\mathrm{MnBi}_2\mathrm{Te}_4$，
  Physical Review B 103, L121103 (2021)
  Link

• Luojun Du, Tawfique Hasan, Andres Castellanos-Gomez, Gui-Bin Liu, Yugui Yao, Chun Ning Lau, Zhipei Sun,
  Engineering symmetry breaking in two-dimensional layered materials,
  Nature Reviews Physics (2021)
  Link

• Chang-Yin Ji, Yongyou Zhang, Bingsuo Zou, and Yugui Yao,
  Robust Fano resonance in the photonic valley Hall states,
  Physical Review A 103, 023512(2021)
  Link

• Liwei Liu, Han Yang, Yuting Huang, Xuan Song, Quanzhen Zhang, Zeping Huang, Yanhui Hou, Yaoyao Chen, Ziqiang Xu, Teng Zhang, Xu Wu, Jiatao Sun, Yuan Huang, Fawei Zheng, Xianbin Li, Yugui Yao, Hong-Jun Gao & Yeliang Wang,
  Direct identification of Mott Hubbard band pattern beyond charge density wave superlattice in monolayer $1$T-$\mathrm{NbSe}_2$,
  Nature Communications volume 12, 1978 (2021)
  Link

• Huihan Li, Shaocong Wang, Xumeng Zhang, Wei Wang, Rui Yang, Zhong Sun, Wanxiang Feng, Peng Lin, Zhongrui Wang,* Linfeng Sun,* and Yugui Yao,
  Memristive Crossbar Arrays for Storage and Computing Applications,
  Advanced Intelligent Systems, 3, 2100017(2021)
  Link

• Xiao-Ping Li, Botao Fu, Da-Shuai Ma, Chaoxi Cui, Zhi-Ming Yu, and Yugui Yao,
  Double Dirac nodal line semimetal with a torus surface state,
  Physical Review B 103, L161109 (2021)
  Link

• Chaoxi Cui, Xiao-Ping Li, Da-Shuai Ma, Zhi-Ming Yu, and Yugui Yao,
  Charge-four Weyl point: Minimum lattice model and chirality-dependent properties,
  Physical Review B 104, 075115 (2021)
  Link

• Dong-Yun Chen, Jin Cao, Botao Fu, Yongkai Li, Xiaoxiong Wang, JunXi Duan, Junfeng Han, Yun-Ze Long, Bing Teng, Dong Chen, Zhonghao Liu, and Yugui Yao,
  Two-dimensional Dirac dispersion in the layered compound $\mathrm{BaCdSb}_2$,
  Physical Review B 103, 075143 (2021)
  Link

• Gui-BinLiu，MiaoChu，ZeyingZhang，Zhi-MingYu，YuguiYao,
  SpaceGroupIrep: A package for irreducible representations of space group,
  Computer Physics Communications 265（2021）107993
  Link

• Shanshan Chen，Zhiguang Liu, Huifeng Du, Chengchun Tang, Chang-Yin Ji, Baogang Quan, Ruhao Pan, Lechen Yang, Xinhao Li, Changzhi Gu, Xiangdong Zhang, Yugui Yao, Junjie Li*, Nicholas X. Fang* & Jiafang Li*.
  Electromechanically reconfigurable optical nano-kirigami.
  Nature Communications 12, 1299 (2021).
  Link

• Xiao-Ping Li, Ke Deng, Botao Fu, YongKai Li, Da-Shuai Ma, JunFeng Han, Jianhui Zhou*, Shuyun Zhou, and Yugui Yao*.
  Type-III Weyl semimetals: $(\mathrm{TaSe}_4)_2\mathrm{I}$.
  Physical Review B 103, L081402 (2021).
  Link

2020

• Yanfeng Ge, Fan Zhang*, Ranga P. Dias, Russell J. Hemley, Yugui Yao*
  Hole-doped room-temperature superconductivity in $\mathrm{H}_3\mathrm{S}_{1-x}\mathrm{Z}_x$ ($\mathrm{Z}=\mathrm{C}, \mathrm{Si}$).
  Materials Today Physics 15, 100330 (2020).
  Link

• Si Li* and Zhi-Ming Yu and Yugui Yao and Shengyuan A. Yang.
  Type-II topological metals.
  Frontiers of Physics 15, 43201 (2020).
  Link

• Xiangzhuo Wang and Zequn Chen and Jingchuan Zheng and Yongkai Li and Xianglin Peng and Xuqiang Zhang and Hongxing Yin and Xiaolu Xiong and Junxi Duan and Xiang Li and Zhiwei Wang and Zhuo Chen and Junfeng Han* and Wende Xiao* and Yugui Yao.
  Van der Waals Epitaxial Growth of Two-Dimensional $\mathrm{BiOBr}$ Flakes with Dendritic Structures for the Hydrogen Evolution Reaction.
  ACS Applied Energy Materials, 2020. (published 2020.12.03).
  Link

• Daiyu Geng, Kejun Yu, Shaosheng Yue, Jin Cao, Wenbin Li, Dashuai Ma, Chaoxi Cui, Masashi Arita, Shiv Kumar, Eike F. Schwier, Kenya Shimada, Peng Cheng, Lan Chen, Kehui Wu, Yugui Yao*, and Baojie Feng.
  Experimental evidence of monolayer $\mathrm{AlB}_2$ with symmetry-protected Dirac cones,
  Physical Review B 101, 161407(R) (2020).
  Link

• Guolin Zheng, Maoyuan Wang, Xiangde Zhu, Cheng Tan, Jie Wang, Sultan Albarakati, Nuriyah Aloufi, Meri Algarni, Lawrence Farrar, Min Wu, Yugui Yao, Mingliang Tian, Jianhui Zhou, Lan Wang,
  Tailoring Dzyaloshinskii-Moriya interaction in a transition metal dichalcogenide by dual-intercalation,
  Nat. Commun. 12, 3639 (2021).
  Link

• Yu Jian, Quansheng Wu, Meng Yang, Qi Feng, Junxi Duan, Dongyun Chen, Qinsheng Wang, Wende Xiao, Youguo Shi, Oleg V. Yazyev, Yugui Yao,
  Transport signatures of temperature induced chemical potential shift and Lifshitz transition in layered type-II Weyl semimetal $\mathrm{TaIrTe}_4$,
  2D Materials 8(1), p.015020.
  Link

• Xun Jia, Maoyuan Wang, Dayu Yan, Siwei Xue, Shuyuan Zhang, Jianhui Zhou*, Youguo Shi, Xuetao Zhu*, Yugui Yao, Jiandong Guo*,
  Topologically Nontrivial Interband Plasmons in Type-II Weyl Semimetal $\mathrm{MoTe}_2$,
  New J. Phys. (2020)(on line 2020.9.29.).
  Link

• Yahui Pang, Emad Rezaei , Dongyun Chen, Si Li,Yu Jian, Qinsheng Wang, Zhiwei Wang, Junxi Duan*, Mona Zebarjadiand, Yugui Yao,
  Thermoelectric properties of layered ternary telluride $\mathrm{Nb}_3\mathrm{SiTe}_6$,
  Physical Review Materials 4, 094205 (2020).
  Link

• 张泽英，付波涛， 余智明， 姚裕贵*，
  拓扑节线半金属研究进展，
  中国科学: 物理学 力学 天文学, 50,090002 (2020).
  Link

• Zhiguang Liu, Yi Xu, Chang-Yin Ji, Shanshan Chen, Xiangping Li, Xiangdong Zhang, Yugui Yao, and Jiafang Li*,
  Fano-Enhanced Circular Dichroism in Deformable Stereo Metasurfaces,
  Adv.Mater. 32,1907077(2020).
  Link

• Xiao-Ping Li, Ke Deng, Botao Fu, YongKai Li, DaShuai Ma, JunFeng Han, Jianhui Zhou, Shuyun Zhou, Yugui Yao*，
  Type-III Weyl Semimetals and its Materialization,
  Physical Review Letters (under review)
  Link

• Xiaodong Zhou, Jan-Philipp Hanke, Wanxiang Feng, Stefan Bluegel, Yuriy Mokrousov, Yugui Yao*，
  Giant Anomalous Nernst Effect in Noncollinear Antiferromagnetic Mn-based Antiperovskite Nitrides,
  Physical Review Materials 4, 024408 (2020)
  Link

• Chang-Yin Ji, Yongyou Zhang*, Yunhong Liao, Xiaoming Zhou, Jian-Hua Jiang, Bingsuo Zou, and Yugui Yao*,
  Fragile topologically protected perfect reflection for acoustic waves,
  Physical Review Research 2, 013131 (2020)
  Link

• Liangliang Zhou, Chuli Sun, Xueming Li,* Libin Tang,* Wei Guo,* Lin Luo, Meng Zhang, Kar Seng Teng, Fuli Qian, Chaoyu Lu, Jing Liang,Yugui Yao, and Shu Ping Lau,
  Tantalum disulfide quantum dots: preparation, structure, and properties.
  Nanoscale Research Letters 15, 20 (2020).
  Link

• Run-Wu Zhang, Zeying Zhang, Cheng-Cheng Liu*, Yugui Yao*，
  Nodal Line Spin-gapless Semimetals and High-quality Candidate Materials,
  Physical Review Letters 124, 016402 (2020).
  Link

• Wanxiang Feng, Xiaodong Zhou, Jan-Philipp Hanke, Guang-Yu Guo, Stefan Blugel, Yuriy Mokrousov, and Yugui Yao*,
  Topological Magneto-Optical Effect and Its Quantization in Noncoplanar Antiferromagnets,
  Nat. Commun. 11, 118 (2020)
  Link

2019

Qinsheng Wang, Jingchuan Zheng, Yuan He, Jin Cao, Xin Liu, Maoyuan Wang, Junchao Ma, Jiawei Lai, Hong Lu, Shuang Jia, Dayu Yan, Y.-G. Shi, Junxi Duan, Junfeng Han, Wende Xiao, Jian-Hao Chen, Kai Sun, Yugui Yao*, Dong Sun*,
Robust edge photocurrent response on layered type II Weyl semimetal $\mathrm{WTe}_2$,
Nat. Commun. 10, 5736 (2019).
Link
• Chuli Sun, Weijing Zhang, Yongjun Lü, Feng Wang, Wei Guo*, Tonglai Zhang and Yugui Yao,
  Trends of the Macroscopic Behaviors of Energetic Compounds: Insights from First-Principles Calculations,
  Phys Chem Chem Phys. 21, 2019, 24034-24041
  Link

• 
  管闪，刘贵斌，盖彦峰，万文辉，刘畅，李思，张泽英，周小东，姚裕贵*，
  应变对量子材料新奇物性的调控，
  《中国科学: 技术科学》Sci Sin Tech, 2019, 49: 1133–1147. Link

• Si Li, Ying Liu, Zhi-Ming Yu, Yalong Jiao, Shan Guan, Xian-Lei Sheng, Yugui Yao*, Shengyuan A. Yang，
  Two-dimensional antiferromagnetic Dirac fermions in monolayer $\mathrm{TaCoTe}_2$，
  Physical Review B 100, 205102 (2019).
  Link

• Xuliang Chen, Maoyuan Wang, Chuanchuan Gu, Shuyang Wang, Yonghui Zhou, Chao An, Ying Zhou, Bowen Zhang, Chunhua Chen, Yifang Yuan, Mengyao Qi, Lili Zhang, Haidong Zhou, Jianhui Zhou, Yugui Yao*, Zhaorong Yang，
  Pressure-tunable large anomalous Hall effect of the ferromagnetic kagome-lattice Weyl semimetal $\mathrm{Co}_3\mathrm{Sn}_2\mathrm{S}_2$，
  Physical Review B 100, 165145 (2019)
  Link

• Xiang Li, Dongyun Chena, Meiling Jinc, Dashuai Ma, Yanfeng Ge, Jianping Sun, Wenhan Guo, Hao Sun, Junfeng Han, Wende Xiao, Junxi Duan, Qinsheng Wang, Cheng-Cheng Liu, Ruqiang Zou, Jinguang Cheng, Changqing Jin, Jianshi Zhou, John B. Goodenough, Jinlong Zhu, and Yugui Yao*,
  Pressure-induced phase transitions and superconductivity in a quasi–$1$-dimensional topological crystalline insulator $\alpha$-$\mathrm{Bi}_4\mathrm{Br}_4$,
  PNAS, 2019, 1909276116.
  Link

• Baojie Feng*, Run-Wu Zhang, Ya Feng, Botao Fu, Shilong Wu,KojiMiyamoto, Shaolong He, Kenya Shimada, Taichi Okuda and Yugui Yao*,
  Discovery of Weyl nodal lines in a single-layer ferromagnet.
  Physical Review Letters (Accepted).
  Link

• Liangliang Zhou, Chuli Sun, Xueming Li,* Libin Tang,* Wei Guo,* Lin Luo, Meng Zhang, Kar Seng Teng, Fuli Qian, Chaoyu Lu, Jing Liang,Yugui Yao, and Shu Ping Lau,
  Tantalum disulfide quantum dots：preparation, structure and properties.
  Nano Research. (Accepted).

• 管闪，刘贵斌，盖彦峰，万文辉，刘畅，李思，张泽英，周小东，姚裕贵*，
  应变对量子材料新奇物性的调控，
  《中国科学: 技术科学》，预发表.

• Xiang Li, Dongyun Chena, Meiling Jinc, Dashuai Ma, Yanfeng Ge, Jianping Sun, Wenhan Guo, Hao Sun, Junfeng Han, Wende Xiao, Junxi Duan, Qinsheng Wang, Cheng-Cheng Liu, Ruqiang Zou, Jinguang Cheng, Changqing Jin, Jianshi Zhou, John B. Goodenough, Jinlong Zhuc, and Yugui Yao*,
  Pressure-induced phase transitions and superconductivity in a quasi–$1$-dimensional topological crystalline insulator $\alpha$-$\mathrm{Bi}_4\mathrm{Br}_4$,
  PNAS, 2019, 1909276116.
  Link

• Zhifeng Liu, Wangxiang Feng, Hongli Xin, Yinlu Gao, Pengfei Liu, Yugui Yao, Hongming Weng and Jijun Zhao,
  Two-dimensional spin–valley-coupled Dirac semimetals in functionalized $\mathrm{SbAs}$ monolayers,
  Mater. Horiz. 2019, 6, 781.
  Link

• Luojun Du, Mengzhou Liao, Gui-Bin Liu, Qinqin Wang, Rong Yang, Dongxia Shi, Yugui Yao, and Guangyu Zhang,
  Strongly distinct electrical response between circular and valley polarization in bilayer transition metal dichalcogenides,
  Physical Review B, 2019, 99, 195415.
  Link

• Xiangzhuo Wang, Huixia Yang, Rong Yang, Qinsheng Wang, Jingchuan Zheng, Lu Qiao, Xianglin Peng, Yongkai Li, Dongyun Chen, Xiaolu Xiong, Junxi Duan, Guangyu Zhang, Jie Ma, Junfeng Han*, Wende Xiao*, and Yugui Yao，
  Weakened interlayer coupling in two-dimensional $\mathrm{MoSe}_2$ flakes with screw dislocations.
  Nano Research, 2019, 12(8): 1900–1905.
  Link

• Xu Dong, Maoyuan Wang, Dayu Yan, Xianglin Peng, Ji Li, Wende Xiao*, Qinsheng Wang, Junfeng Han, Jie Ma, Youguo Shi and Yugui Yao*,
  Observation of Topological Edge States at the Step Edges on the Surface of Type-II Weyl Semimetal $\mathrm{TaIrTe}_4$,
  ACS Nano 2019, 13, 8, 9571-9577
  Link

• Chang-Yin Ji, Gui-Bin Liu, Yongyou Zhang*, Bingsuo Zou, and Yugui Yao*.
  Transport tuning of photonic topological edge states by optical cavities.
  Physical Review A 99, 043801 (2019).
  Link

• Douxing Pan*, Changsong Liu, Gui-Bin Liu, Song Feng and Yugui Yao*,
  Physical Fingerprints of the $2\mathrm{O}$-$\mathrm{t}\alpha\mathrm{P}$ Phase in Phosphorene Stacking.
  J. Phys. Chem. Letters 2019, 10, 3190-3196
  Link

• Hongbo Wu, Da-Shuai Ma, Botao Fu*, Wei Guo, Yugui Yao*,
  Weyl Nodal Point–Line Fermion in Ferromagnetic $\mathrm{Eu}_5\mathrm{Bi}_3$
  J. Phys. Chem. Letters 2019,10, 2508-2514
  Link

• Xiaodong Zhou, Run-Wu Zhang, Zeying Zhang, Da-Shuai Ma, Wanxiang Feng*, Yuriy Mokrousov*, and Yugui Yao*,
  Fully spin-polarized nodal loop semimetals in alkaline-metal monochalcogenide monolayers.
  J. Phys. Chem. Letters 2019, 10, 3101−3108
  Link

• Xiaodong Zhou, Jan-Philipp Hanke, Wanxiang Feng*, Fei Li, Guang-Yu Guo, Yugui Yao, Stefan Blügel, and Yuriy Mokrousov,
  Spin-order dependent anomalous Hall effect and magneto-optical effect in the noncollinear antiferromagnets $\mathrm{Mn}_3\mathrm{XN}$ with $X = \mathrm{Ga}$, $\mathrm{Zn}$, $\mathrm{Ag}$, or $\mathrm{Ni}$.
  Physical Review B, 2019, 99, 104428.
  Link

• Hehe Wei, Hongbo Wu, Kai Huang, Binghui Ge*, Jingyuan Ma, Jialiang Lang, Ming Lei, Yugui Yao, Wei Guo*, Hui Wu*,
  Ultralow-temperature photochemical synthesis of atomically dispersed $\mathrm{Pt}$ catalysts for the hydrogen evolution reaction,
  Chemical Science 10, 2830-2836 (2019).
  Link

2018

• Dong-Yun Chen, Da-Shuai Ma, Yongkai Li, Z. Z. Du, Xiaolu Xiong, Yuan He, Dong Chen, JunXi Duan, Wende Xiao, Junfeng Han, and Yugui Yao*.
  Quantum transport properties in single crystals of $\alpha$-$\mathrm{Bi}_4\mathrm{I}_4$.
  Physical Review Mater. 2 114408 (2018).
  Link

• Da-Shuai Ma, Jianhui Zhou, Botao Fu, Zhi-Ming Yu, Cheng-Cheng Liu*, and Yugui Yao*.
  Mirror Protected Multiple Nodal Line Semimetals and Material Realization.
  Physical Review B(R) 98, 201104, (2018).
  Link

• Xiaotong Fan, Dashuai Ma, Botao Fu*, Cheng-Cheng Liu* and Yugui Yao,
  Cat's-cradle-like Dirac semimetals in layer groups with multiple screw axes: Application to two-dimensional borophene and borophane,
  Physical Review B 98，195437 (2018).
  Link

• Zhi-Ming Yu, Ying Liu, Yugui Yao and Shengyuan A. Yang,
  Unconventional Pairing Induced Anomalous Transverse Shift in Andreev Reflection.
  Physical Review Letters 121, 176602 (2018).
  Link

• Yanxia Xing, Fuming Xu, Qing-Feng Sun, Jian Wang* and Yu-Gui Yao*,
  Geometric effect on quantum anomalous Hall states in magnetic topological insulators,
  J. Phys.: Condens. Matter 30, 435303 (2018).
  Link

• Zeying Zhang, Run-Wu Zhang, Xinru Li, Klaus Koepernik, Yugui Yao* and Hongbin Zhang*,
  High-Throughput Screening and Automated Processing toward Novel Topological Insulators.
  J. Phys. Chem. Letters 9, 6224 (2018).
  Link

• Mengzhou Liao, Ze-Wen Wu, Luojun Du, Tingting Zhang, Zheng Wei, Jianqi Zhu, Hua Yu, Jian Tang, Lin Gu, Yanxia Xing, Rong Yang, Dongxia Shi, Yugui Yao* and Guangyu Zhang*,
  Twist angle-dependent conductivities across $\mathrm{MoS}_2$/graphene heterojunctions,
  Nat. Comm. 9, 4068 (2018).
  Link

• Zeying Zhang, Qiang Gao, Cheng-Cheng Liu, Hongbin Zhang*, and Yugui Yao*,
  Magnetization-direction tunable nodal-line and Weyl phases.
  Physical Review B (R) 98(12), 121103 (2018).
  Link

• Xinru Li*, Zeying Zhang, Yugui Yao and Hongbin Zhang,
  High throughput screening for two-dimensional topological insulators.
  2D Materials, 5(4), 045023 (2018).
  Link

• Botao Fu, Xiaotong Fan, Dashuai Ma, Cheng-Cheng Liu*, and Yugui Yao*,
  Hourglasslike nodal net semimetal in $\mathrm{Ag}_2\mathrm{BiO}_3$.
  Physical Review B 98(7), 075146 (2018).
  Link

• Luojun Du, Zhiyan Jia, Qian Zhang, Anmin Zhang, Tingting Zhang, Rui He, Rong Yang, Dongxia Shi, Yugui Yao, Jianyong Xiang, Guangyu Zhang* and Qingming Zhang*,
  Electronic structure-dependent magneto-optical Raman effect in atomically thin $\mathrm{WS}_2$.
  2D Materials, 5(3), 035028 (2018).
  Link

• Shuang Wu, Bing Liu, Cheng Shen, Si Li, Xiaochun Huang, Xiaobo Lu, Peng Chen, Guole Wang, Duoming Wang, Mengzhou Liao, Jing Zhang, Tingting Zhang, Shuopei Wang, Wei Yang, Rong Yang, Dongxia Shi, Kenji Watanabe, Takashi Taniguchi, Yugui Yao, Weihua Wang, and Guangyu Zhang*,
  Magnetotransport Properties of Graphene Nanoribbons with Zigzag Edges.
  Physical Review Letters 120, 216601 (2018).
  Link

• Liping Liu, Zhanghui Chen, Yugui Yao, Lin-Wang Wang*.
  Force field preconditioned ab initio structure relaxation method.
  Physical Review B 98, 144109 (2018).
  Link

• Run-Wu Zhang, Cheng-Cheng Liu*, Da-Shuai Ma, Maoyuan Wang and Yugui Yao*.
  Nodal line semimetal states in positive electrode material of lead-acid battery: Lead dioxide family and its derivatives.
  Physical Review B 98, 035144 (2018).
  Link

• Si Li, Ying Liu, Botao Fu, Zhi-Ming Yu, Shengyuan A. Yang, and Yugui Yao*.
  Almost ideal nodal-loop semimetal in monoclinic $\mathrm{CuTeO}_3$ material.
  Physical Review B 97, 245148 (2018).
  Link

• Baojie Feng*, Jin Cao, Meng Yang, Ya Feng, Shilong Wu, Botao Fu, Masashi Arita, Koji Miyamoto, Shaolong He, Kenya Shimada, Youguo Shi*, Taichi Okuda, and Yugui Yao*.
  Experimental observation of node-line-like surface states in LaBi.
  Physical Review B 97, 155153. (2018)
  Link

• Shan Guan, Chang Liu, Yunhao Lu, Yugui Yao*, and Shengyuan A. Yang*.
  Tunable ferroelectricity and anisotropic electric transport in monolayer $\beta$-$\mathrm{GeSe}$.
  Physical Review B 97, 144104 (2018)
  Link

• Fei Li, Xiaodong Zhou, Wanxiang Feng*, Botao Fu, and Yugui Yao.
  Thickness-dependent magneto-optical effects in hole-doped $\mathrm{GaS}$ and $\mathrm{GaSe}$ multilayers: A first-principles study.
  New Journal of Physics, 20(4), 043048, 2018.
  Link

• Run-Wu Zhang, Cheng-Cheng Liu*, Da-Shuai Ma, and Yugui Yao*.
  From node-line semimetals to large-gap quantum spin Hall states in a family of pentagonal group-IVA chalcogenide.
  Physical Review B 97, 125312 (2018).
  Link

• Maoyuan Wang, Gui-Bin Liu*, Hong Guo, and Yugui Yao*.
  An efficient method for hybrid density functional calculation with spin-orbit.
  Computer Physics Communications, 2018, 224C, pp90-97.
  Link

• Si Li, Ying Liu, Shan-Shan Wang, Zhi-Ming Yu, Shan Guan, Xian-Lei Sheng, Yugui Yao*, and Shengyuan A. Yang*.
  Nonsymmorphic-symmetry-protected hourglass Dirac loop, nodal line, and Dirac point in bulk and monolayer $\mathrm{X}_3\mathrm{SiTe}_6$ ($\mathrm{X} = \mathrm{Ta}, \mathrm{Nb}$).
  Physical Review B 97, 045131, (2018).
  Link

• Da-Shuai Ma, Zhi-Ming Yu*, Hui Pan, and Yugui Yao*.
  Trigonal warping induced unusual spin texture and strong spin polarization in graphene with the Rashba effect.
  Physical Review B 97, 085416, 2018.
  Link

• Si Zhou, Cheng-Cheng Liu, Jijun Zhao* and Yugui Yao*.
  Monolayer group-III monochalcogenides by oxygen functionalization: a promising class of two-dimensional topological insulators.
  npj Quantum Materials 3, 16, 2018.
  Link

• Si Li, Cheng-Cheng Liu* and Yugui Yao.
  Floquet high Chern insulators in periodically driven chirally stacked multilayer graphene.
  New Journal of Physics, 20, 033025 (2018).
  Link

• Yanxia Xing*, Fuming Xu, King Tai Cheung, Qingfeng Sun, Jian Wang and Yugui Yao*.
  Influence of magnetic disorders on quantum anomalous Hall effect in magnetic topological insulator films beyond the two-dimensional limit.
  New Journal of Physics, 20, 043011 (2018).
  Link

• Xiaoqin Zhang, Feng Wang*, Fengshou Zhang, and Yugui Yao.
  Control of the hyperbolic dispersion of dielectrics by an ultrashort laser pulse.
  Physical Review B 97, 014310, 2018.
  Link

• Pei Yang, lijie Shi, Jian-Min Zhang, Gui-Bin Liu, Shengyuan A. Yang, Wei Guo* and Yugui Yao,
  Tuning to the Band Gap by Complex Defects Engineering: Insights from Hybrid Functionals Calculations in $\mathrm{CuInS}_2$.
  Journal of Physics D: Applied Physics 51, 025105 (2018).
  Link

• Tingting Zhang, Zhiming Yu*, Wei Guo, Dongxia Shi, Guangyu Zhang*, Yugui Yao*,
  From Type-II Triply Degenerate Nodal Points and Three-Band Nodal Rings to Type-II Dirac Points in Centrosymmetric Zirconium Oxide.
  J. Phys. Chem. Letters, 2017, 8 (23), pp 5792–5797.
  Link

• Furu Zhang, Jianhui Zhou*, Di Xiao, Yugui Yao*,
  Tunable Intrinsic Plasmons due to Band Inversion in Topological Materials.
  Physical Review Letters 119, 266804（2017）
  Link

• Xiaodong Zhou, Wanxiang Feng*, Fei Li and Yugui Yao*,
  Large magneto-optical effects in hole-doped blue phosphorene and gray arsenene.
  Nanoscale, 9, 17405 (2017).
  Link

• Baojie Feng, Botao Fu, Shusuke Kasamatsu, Suguru Ito, Peng Cheng, Cheng-cheng Liu, Ya Feng, Shilong Wu, Sanjoy Mahatha, Polina Sheverdyaeva, Paolo Moras, Masashi Arita, Osamu Sugino, Tai-Chang Chiang, Kenya Shimada, Koji Miyamoto, Taichi Okuda, Kehui Wu, Lan Chen*, Yugui Yao*, and Iwao Matsuda*,
  Experimental realization of two-dimensional Dirac nodal line fermions in monolayer $\mathrm{Cu}_2\mathrm{Si}$,
  Nat. Comm. 8, 1007 (2017).
  Link

• Wenhui Wan, Yugui Yao*, Liangfeng Sun, Cheng-Cheng Liu, and Fan Zhang*,
  “Topological, Valleytronic, and Optical Properties of Monolayer $\mathrm{PbS}$”,
  Adv. Mater. 29, 1604788 (2017).15
  Link

2017

• "Graphene Foam: Uniaxial Tension Behavior and Fracture Mode Based on a Mesoscopic Model"
  Douxing Pan, Chao Wang, Tzu-Chiang Wang, and Yugui Yao,
  ACS Nano (accepted), 10.1021/acsnano.7b03474. Link

• "Simulations of twisted bilayer orthorhombic black phosphorus"
  Douxing Pan, Tzu-Chiang Wang, Wende Xiao, Dongmei Hu, and Yugui Yao,
  Physical Review B (Rap. Comm.) 96, 041411 (2017). Link

• "Manipulation of the dielectric properties of diamond by an ultrashort laser pulse"
  Xiaoqin Zhang, Feng Wang, Lan Jiang, and Yugui Yao,
  Physical Review B 95, 184301 (2017). Link

• "First-principles prediction on bismuthylene monolayer as a promising quantum spin Hall insulator"
  Run-Wu Zhang, Chang-Wen Zhang, Wei-Xiao Ji, Shi-Shen Yan, and Yu-Gui Yao,
  Nanoscale 9, 8207 (2017). Link

• "Tunable hyperbolic dispersion and negative refraction in natural electride materials"
  Shan Guan, ShaoYing Huang, Yugui Yao, Shengyuan A. Yang,
  Physical Review B 95, 165436 (2017). Link

• "Type-II nodal loops: Theory and material realization"
  Si Li, Zhi-Ming Yu, Ying Liu, Shan guan, Shan-Shan Wang, Xiaoming Zhang, Yugui Yao, Shengyuan A. Yang
  Physical Review B 96, 081106 (2017). Link

• "Artificial gravity field, astrophysical analogues, and topological phase transitions in strained topological semimetals"
  Shan Guan, Zhi-Ming Yu, Ying Liu, Gui-Bin Liu, Liang Dong, Yunhao Lu, Yugui Yao, and Shengyuan A. Yang,
  npj Quan. Mater., 2, 23 (2017). Link

• "Multilayered Electride Ca2N Electrode via Compression Molding Fabrication for Sodium Ion Batteries"
  Guanghai chen, Ying Bai, Hui Li, Yu Li, Zhaohua Wang, Qiao Ni, Lu Liu, Feng Wu, Yugui Yao, and Chuan Wu,
  ACS Appl. Mater. & Interfaces 9, 6666 (2017). Link

• "Self-assembled chiral phosphorus nanotubes from phosphorene: a molecular dynamics study"
  Douxing Pan, Tzu-Chiang Wang, Chao Wang, Wei Guo, and Yugui Yao,
  RSC Adv. 7, 24647 (2017). Link

• "Effects of hole doping and strain on magnetism in buckled phosphorene and arsenene"
  Botao Fu, Wanxiang Feng, Xiaodong Zhou, and Yugui Yao,
  2D Mater. 4, 025017 (2017). Link

• "Topological, Valleytronic, and Optical Properties of Monolayer PbS "
  Wenhui Wan, Yugui Yao*, Liangfeng Sun, Cheng-Cheng Liu, and Fan Zhang*
  Adv. Mater. 1604788 (2017) Link

• "Tunable magneto-optical effects in hole-doped group-IIIA metal-monochalcogenide monolayers "
  Wanxiang Feng, Guang-Yu Guo, and Yugui Yao,
  2D Mater. 4, 015017 (2017). Link

2016

• "Borophene as an extremely high capacity electrode material for Li-ion and Na-ion batteries "
  Zhang, Xiaoming and Hu, Junping and Cheng, Yingchun and Yang, Hui Ying and Yao, Yugui and Yang, Shengyuan A.,
  Nanoscale 8 15340, (2016). Link

• "Even-odd layer-dependent magnetotransport of high-mobility Q-valley electrons in transition metal disulfides "
  Zefei Wu, Shuigang Xu, Huanhuan Lu, Armin Khamoshi, Gui-Bin Liu, Tianyi Han, Yingying Wu, Jiangxiazi Lin, Gen Long, Yuheng He, Yuan Cai, Yugui Yao, Fan Zhang & Ning Wang,
  Nat. Comm. 7, 12955 (2016). Link

• "Extraction of state-resolved information from systems with a fractional number of electrons within the framework of time-dependent density functional theory "
  Wang, Feng and Yao, Yugui and Calvayrac, Florent and Zhang, Fengshou,
  The Journal of Chemical Physics 145, 7, (2016). Link

• "First-principles demonstration of superconductivity at 280 K in hydrogen sulfide with low phosphorus substitution "
  Yanfeng Ge, Fan Zhang, and Yugui Yao,
  Physical Review B 93, 224513 (2016). Link

• "First-principles investigations on the Berry phase effect in spin-orbit coupling materials "
  Wanxiang Feng, Cheng-Cheng Liu, Gui-Bin Liu, Jin-Jian Zhou and Yugui Yao,
  Computational Materials Science. 112, 428 (2016). (Invited Review) Link

• "Predicted Unusual Magnetoresponse in Type-II Weyl Semimetals "
  Zhi-Ming Yu, Yugui Yao, and Shengyuan A. Yang,
  Physical Review Letters 117, 077202 (2016). Link

• "Quantum anomalous Hall effect in stanene on a nonmagnetic substrate "
  Zhang, Huisheng and Zhou, Tong and Zhang, Jiayong and Zhao, Bao and Yao, Yugui and Yang, Zhongqin,
  Physical Review B 94, 235409 (2016). Link

• "Rise of silicene: A competitive 2D material "
  Jijun Zhao, Hongsheng Liu, Zhiming Yu, Ruge Quhe, Si Zhou, Yangyang Wang, Cheng Cheng Liu, Hongxia Zhong, Nannan Han, Jing Lu, Yugui Yao, and Kehui Wu,
  Progress in Materials Science 83, 24 (2016). (Review Article) Link

• "Theoretical prediction of MoN2monolayer as a high capacity electrode material for metal ion batteries "
  Xiaoming Zhang, Zhiming Yu, Shan-Shan Wang, Shan Guan, Hui Ying Yang, Yugui Yao and Shengyuan A. Yang,
  J. Mater. Chem. A 2016, 4,15224 Link

• "van der Waals heterostructures of germanene, stanene, and silicene with hexagonal boron nitride and their topological domain walls "
  Maoyuan Wang, Liping Liu, Cheng-Cheng Liu, and Yao, Yugui,
  Physical Review B 93, 155412 (2016) Link

• "Weak Topological Insulators and Composite Weyl Semimetals: β-Bi4Ｘ4 (X=Br, I) "
  Cheng-Cheng Liu, Jin-Jian Zhou, Yugui Yao, and Fan Zhang,
  Physical Review Letters 116, 066801 (2016). Link

2015

• "2D Electrides as Promising Anode Materials for Na-Ion Batteries from First-Principles Study"
  Junping Hu, Bo Xu, Shengyuan A. Yang, Shan Guan, Chuying Ouyang, and Yugui Yao
  ACS Appl. Mater. Interfaces. 7 (43), pp 24016–24022 (2015) Link

• "Antiferromagnetic and topological states in silicene:A mean field study"
  Feng Liu, Chengcheng Liu & Yugui Yao
  Chinese Physics B. 24(8) (2015) Link

• "Effects of strain on electronic and optic properties of holey two-dimensional C2N crystals"
  Shan Guan, Yingchun Cheng, Chang Liu, Junfeng Han，Yunhao Lu, Shengyuan A. Yang & Yugui Yao
  Appl. Phys. Letters 107, 231904 (2015) Link

• " Electric field controlled spin- and valley-polarized edge states in silicene with extrinsic Rashba effect"
  Zhiming Yu, Hui Pan, & Yugui Yao
  Physical Review B. 92, 155419 (2015) Link

• "Electronic structures and theoretical modelling of two-dimensional group-VIB transition metal dichalcogenides"
  Gui-Bin Liu, Di Xiao, Yugui Yao, Xiaodong Xu, and Wang Yao,
  Chemical Society Reviews. 44, 2643-2663 (2015) Link

• "Electronic, Dielectric, and Plasmonic Properties of Two-Dimensional Electride Materials X2N (X=Ca, Sr): A First-Principles Study"
  Shan Guan, Shengyuan A. Yang, Liyan Zhu, Junping Hu & Yugui Yao
  Scientific reports. 5, 12285(2015) Link

• "Itinerant ferromagnetism and p+ip' superconductivity in doped bilayer silicene"
  Li-Da Zhang, Fan Yang, & Yugui Yao
  Physical Review B. 92, 104504 (2015) Link

• "Large magneto-optical Kerr effect in noncollinear antiferromagnets Mn3X(X=Rh,Ir,Pt)"
  Wanxiang Feng, Guang-Yu Guo, Jian Zhou, Yugui Yao & Qian Niu
  Physical Review B. 92, 144426 (2015) Link

• "Possible Electric-Field-Induced Superconducting States in Doped Silicene"
  Li-Da Zhang, Fan Yang, & Yugui Yao
  Scientific reports. 5, 8203 (2015) Link

• "Quantum Anomalous Hall Effect in Graphene-based Heterostructure"
  Jiayong Zhang, Bao Zhao, Yugui Yao, Zhongqin Yang,
  Scientific reports.5, 10629 (2015) Link

• "Robust quantum anomalous Hall effect in graphene-based van der Waals heterostructures"
  Jiayong Zhang, Bao Zhao, Yugui Yao, and Zhongqin Yang,
  Physical Review B. 92, 165418 (2015) Link

• "The strain effect on superconductivity in phosphorene: a first-principles prediction"
  Yanfeng Ge, Wenhui Wan, Fan Yang and Yugui Yao,
  New Journal of Physics. 17.3 (2015): 035008 Link

• "Time-reversal-invariant topological superconductivity in n-doped BiH"
  Fan Yang, Cheng-Cheng Liu, Yu-Zhong Zhang, Yugui Yao, and Dung-Hai Lee,
  Physical Review B. 91, 134514 (2015) Link

• "Topological edge states in single- and multi-layer Bi4Br4"
  Jin-Jian Zhou, Wanxiang Feng, Gui-Bin Liu, Yugui Yao,
  New Journal of Physics. 17.1 (2015): 015004 Link

• "Topological magnetic phase in LaMnO3 (111) bilayer"
  Yakui Weng, Xin Huang, Yugui Yao, and Shuai Dong,
  Physical Review B 92, 92, 195114. (2015) Link

• "Topological p+ip superconductivity in doped graphene-like single-sheet materials BC3"
  Xi Chen, Yugui Yao, Hong Yao, Fan Yang, and Jun Ni,
  Physical Review B. 92, 174503 (2015) Link

• "Valley-polarized quantum anomalous Hall phase and disorder-induced valley-filtered chiral edge channels"
  Hui Pan, Xin Li, Hua Jiang, Yugui Yao, and Shengyuan A Yang,
  Physical Review B. 91, 045404 (2015) Link

• "Valley-polarized quantum anomalous Hall phases and tunable topological phase transitions in half-hydrogenated Bi honeycomb monolayers"
  Cheng-Cheng Liu, Jin-Jian Zhou, and Yugui Yao,
  Physical Review B. 91, 165430 (2015) Link

2014

• "Core hole effect on topological band order in cubic semiconductors: A first-principles study"
  Wanxiang Feng, Jun Ding, Botao Fu, Ying Zhang & Yugui Yao
  Europhysics Letters. 106.2 (2014): 27008 Link

• "Effect of doping and strain modulations on electron transport in monolayer MoS₂"
  Yanfeng Ge, Wenhui Wan, Wanxiang Feng, Di Xiao, & Yugui Yao
  Physical Review B. 90, 035414 (2014) Link

• "Engineering Topological Surface States and Giant Rashba Spin Splitting in BiTeI/Bi₂Te₃ Heterostructures"
  Jin-Jian Zhou, Wanxiang Feng, Ying Zhang, Shengyuan A. Yang, & Yugui Yao
  Scientific reports.4 (2014) Link

• "Evolution of atomic rearrangements in deformation in metallic glasses"
  B. S. Shang, M. Z. Li, Y. G. Yao, Y. J. Lu, & W. H. Wang
  Physical Review E. 90, 042303 (2014).. Link

• "Formation of quantum spin Hall state on Si surface and energy gap scaling with strength of spin orbit coupling"
  Miao Zhou, Wenmei Ming, Zheng Liu, Zhengfei Wang, Yugui Yao, & Feng Liu
  Scientific reports.4 (2014) Link

• "Intervalley coupling by quantum dot confinement potentials in monolayer transition metal dichalcogenides"
  Gui-Bin Liu, Hongliang Pang, Yugui Yao, & Wang Yao
  New Journal of Physics.16.10 (2014): 105011.. Link

• "Investigations on V₂C and V₂CX₂ (X = F, OH) Mono layer as a Promising Anode Material for Li Ion Batteries from First-Principles Calculations"
  Junping Hu, Bo Xu, Chuying Ouyang, Shengyuan A. Yang, & Yugui Yao
  The Journal of Physical Chemistry C.118.42 (2014): 24274-24281 Link

• "Large-Gap Quantum Spin Hall Insulator in Single Layer Bismuth Monobromide Bi₄Br₄"
  Jin-Jian Zhou, Wanxiang Feng, Cheng-Cheng Liu, Shan Guan, & Yugui Yao,
  Nano letters.14.8 (2014): 4767-4771. Link

• "Low-energy effective Hamiltonian for giant-gap quantum spin Hall insulators in honeycomb X-hydride/halide (X=N–Bi) monolayers"
  Cheng-Cheng Liu, Shan Guan, Zhigang Song, Shengyuan A. Yang, Jinbo Yang, & Yugui Yao
  Physical Review B. 90, 085431 (2014) Link

• "Probing the topological phase transition via density oscillations in silicene and germanene"
  Hao-Ran Chang, Jianhui Zhou, Hui Zhang, & Yugui Yao
  Physical Review B. 89, 201411(R) (2014) Link

• "Quantum spin Hall and Z(2) metallic states in an organic material"
  Bao Zhao, Jiayong Zhang, Wanxiang Feng, Yugui Yao, & Zhongqin Yang
  Physical Review B. 90, 201403(R) (2014): e147.. Link

• "Quantum spin Hall insulators and quantum valley Hall insulators of BiX/SbX (X = H, F, Cl and Br) monolayers with a record bulk band gap"
  Zhigang Song, Cheng-Cheng Liu, Jinbo Yang, Jingzhi Han, Meng Ye, Botao Fu, Yingchang Yang, Qian Niu, Jing Lu, & Yugui Yao,
  NPG Asia Materials.6.12 (2014): e147.. Link

• "Erratum: Three-band tight-binding model for monolayers of group-VIB transition metal dichalcogenides [Physical Review B 88, 085433 (2013)]"
  Gui-Bin Liu, Wen-Yu Shan, Yugui Yao, Wang Yao, & Di Xiao
  Physical Review B. 89, 039901 (2014) Link

• "Topological metallic phases in spin-orbit coupled bilayer systems"
  Hui Pan, Xin Li, Zhenhua Qiao, Cheng-Cheng Liu, Yugui Yao, & Shengyuan A Yang
  New Journal of Physics.16.12 (2014): 123015 Link

• "Valley-Polarized Quantum Anomalous Hall Effect in Silicene"
  Hui Pan, Zhenshan Li, Cheng-Cheng Liu, Guobao Zhu, Zhenhua Qiao, & Yugui Yao
  Physical Review Letters 112, 106802 (2014) Link

2013

• "d+id' Chiral Superconductivity in Bilayer Silicene"
  Feng Liu, Cheng-Cheng Liu, Kehui Wu, Fan Yang, & Yugui Yao
  Physical Review Letters 111, 066804 (2013) Link

• "Electronic structures of graphene layers on a metal foil: The effect of atomic-scale defects"
  Hui Yan, Cheng-Cheng Liu, Ke-Ke Bai, Xuejiao Wang, Mengxi Liu, Wei Yan, Lan Meng, Yanfeng Zhang, Zhongfan Liu, Rui-fen Dou, Jia-Cai Nie, Yugui Yao, & Lin He,
  Applied Physics Letters. 103.14 (2013): 143120.. Link

• "Epitaxial growth of single-domain graphene on hexagonal boron nitride"
  Wei Yang, Guorui Chen, Zhiwen Shi, Cheng-Cheng Liu, Lianchang Zhang, Guibai Xie, Meng Cheng, Duoming Wang, Rong Yang, Dongxia Shi, Kenji Watanabe, Takashi Taniguchi, Yugui Yao, Yuanbo Zhang and Guangyu Zhang,
  Nature materials.12.9 (2013): 792-797.. Link

• "Interplay between Different Magnetisms in Cr-Doped Topological Insulators"
  Xufeng Kou, Murong Lang, Yabin Fan, Ying Jiang, Tianxiao Nie, Jianmin Zhang, Wanjun Jiang, Yong Wang, Yugui Yao, Liang He, and Kang L. Wang,
  ACS nano.7.10 (2013): 9205-9212.. Link

• "Observation of Dirac Cone Warping and Chirality Effects in Silicene"
  Baojie Feng, Hui Li, Cheng-Cheng Liu, Ting-Na Shao, Peng Cheng, Yugui Yao, Sheng Meng, Lan Chen, and Kehui Wu,
  ACS nano.7.10 (2013): 9049-9054.. Link

• "Phonon-mediated superconductivity in silicene predicted by first-principles density functional calculations"
  Wenhui Wan, Yanfeng Ge, Fan Yang and Yugui Yao,
  Europhysics Letters.104.3 (2013): 3600146. (Editor’s Suggestion) Link

• "Stability, electronic, and magnetic properties of the magnetically doped topological insulators Bi₂Se₃, Bi2Te3, and Sb2Te3"
  Jian-Min Zhang, Wenmei Ming, Zhigao Huang, Gui-Bin Liu, Xufeng Kou, Yabin Fan, Kang L.Wang and Yugui Yao,
  Physical Review B. 88, 235131 (2013) Link

• "Three-band tight-binding model for monolayers of group-VIB transition metal dichalcogenides"
  Gui-Bin Liu, Wen-Yu Shan, Yugui Yao, Wang Yao, and Di Xiao,
  Physical Review B. 88, 085433 (2013) Link

• "Topological phases in gated bilayer graphene: Effects of Rashba spin-orbit coupling and exchange field"
  Zhenhua Qiao, Xiao Li, Wang-Kong Tse, Hua Jiang, Yugui Yao and Qian Niu,
  Physical Review B. 87, 125405 (2013).. Link

2012

• "Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet superconducting state in Li₂(Pd_1-xPt_x)₃B beyond x=0.8"
  S. Harada, J. J. Zhou, Y. G. Yao, Y. Inada, and Guo-qing Zheng,
  Physical Review B. 86, 220502 (2012) Link

• "Evidence for Dirac Fermions in a Honeycomb Lattice Based on Silicon"
  Lan Chen, Cheng-Cheng Liu, Baojie Feng, Xiaoyue He, Peng Cheng, Zijing Ding, Sheng Meng, Yugui Yao, and Kehui Wu,
  Physical Review Letters 109, 056804 (2012) Link

• "Evidence of Silicene in Honeycomb Structures of Silicon on Ag(111)"
  Baojie Feng, Zijing Ding, Sheng Meng, Yugui Yao, Xiaoyue He, Peng Cheng, Lan Chen, and Kehui Wu,
  Nano Letters 12, 3507 (2012) Link

• "First-principles calculation of Z₂ topological invariants within the FP-LAPW formalism"
  Wanxiang Feng, Jun Wen, Jinjian Zhou, Di Xiao, and Yugui Yao,
  Comp. Phys. Commun. 183, 1849 (2012) Link

• "Intrinsic spin Hall effect in monolayers of group-VI dichalcogenides: A first-principles study"
  Wanxiang Feng, Yugui Yao, Wenguang Zhu, Jinjian Zhou, Wang Yao, and Di Xiao,
  Physical Review B 86, 165108 (2012) Link
  

• "Microscopic theory of quantum anomalous Hall effect in graphene"
  Zhenhua Qiao, Hua Jiang, Xiao Li, Yugui Yao, and Qian Niu,
  Physical Review B 85.115439 (2012) Link
  

• "Strain tuning of topological band order in cubic semiconductors"
  Wanxiang Feng, Wenguang Zhu, Hanno H. Weitering, G. Malcolm Stocks, Yugui Yao, and Di Xiao,
  Physical Review B 85.195114 (2012) Link
  

• "Tailoring Magnetic Doping in the Topological Insulator Bi₂Se₃"
  Jian-Min Zhang, Wenguang Zhu, Ying Zhang, Di Xiao, and Yugui Yao,
  Physical Review Letters 109, 266405 (2012) Link
  

• "Theory of orbital magnetization in disordered systems"
  Guobao Zhu, Shengyuan A. Yang, Cheng Fang, W. M. Liu, and Yugui Yao,
  Physical Review B. 86.214415 (2012) Link
  

• "Three-dimensional topological insulators: A review on host materials"
  Wanxiang Feng, and Yugui Yao,
  Science China Physics, Mechanics and Astronomy. 55.12 (2012): 2199-2212 Link
  

2011

• "Band structure engineering of multinary chalcogenide topological insulators"
  Shiyou Chen, X. G. Gong, Chun-Gang Duan, Zi-Qiang Zhu, Jun-Hao Chu, Aron Walsh, Yu-Gui Yao, Jie Ma, and Su-Huai Wei,
  Physical Review B 83, 245202 (2011) Link
  

• "Density functional study of weak ferromagnetism in a thick BiCrO₃film"
  Jun Ding, Yugui Yao, and Leonard Kleinman,
  J. Appl. Phys. 109, 103905 (2011) Link
  

• "Effects of spin-flip scattering on gapped Dirac fermions"
  S. A. Yang, Z. Qiao, Yugui Yao, J. Shi and Q. Niu,
  Europhys. Letters 95, 67001 (2011) Link
  

• "Engineering quantum anomalous/valley Hall states in graphene via metal-atom adsorption: An ab-initio study"
  Jun Ding, Zhenhua Qiao, WanXiang Feng, Yugui Yao, and Qian Niu,
  Physical Review B 84, 195444 (2011) Link
  

• "Low-energy effective Hamiltonian involving spin-orbit coupling in silicene and two-dimensional germanium and tin"
  Cheng-Cheng Liu, Hua Jiang, and Yugui Yao,
  Physical Review B 84, 195430 (2011) Link
  

• "Quantum anomalous Hall effect in single-layer and bilayer graphene"
  Wang-Kong Tse, Zhenhua Qiao, Yugui Yao, A. H. MacDonald, and Qian Niu,
  Physical Review B 83, 155447 (2011) Link
  

• "Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium"
  Cheng-Cheng Liu, Wanxiang Feng and Yugui Yao, ,
  Physical Review Letters 107, 076802 (2011) Link
  

• "Scattering universality classes of side jump in the anomalous Hall effect"
  Shengyuan A. Yang, Hui Pan, Yugui Yao, and Qian Niu,
  Physical Review B 83, 125122 (2011) Link
  

• "Spin-polarized and valley helical edge modes in graphene nanoribbons "
  Zhenhua Qiao and Shengyuan A. Yang, Bin Wang, Yugui Yao and Qian Niu,
  Physical Review B 84, 035431 (2011) Link

• "Three-dimensional topological insulators in I-III-VI₂ and II-IV-V₂ chalcopyrite semiconductors"
  WanXiang Feng, Di Xiao, Jun Ding, and Yugui Yao, ,
  Physical Review Letters 106, 016402 (2011) Link

• "Topological Aspect and Quantum Magnetoresistance of β-Ag₂Te"
  Wei Zhang, Rui Yu, Wanxiang Feng, Yugui Yao, Hongming Weng, Xi Dai and Zhong Fang,
  Physical Review Letters 106, 156808 (2011) Link
  

• "Two-Dimensional Topological Insulator State and Topological Phase Transition in Bilayer Graphene"
  Zhenhua Qiao, Wang-Kong Tse, Hua Jiang, Yugui Yao, and Qian Niu,
  Physical Review Letters 107, 256801 (2011) Link
  

2010

• "Half-Heusler compounds as a new class of three-dimensional topological insulators"
  Di Xiao, Yugui Yao, Wanxiang Feng, Jun Wen, Wenguang Zhu, Xing-Qiu Chen, G. Malcolm Stocks, and Zhenyu Zhang,
  Physical Review Letters 105, 096404 (2010) Link

• "Half-Heusler topological insulators: A first-principles study with the Tran-Blaha modified Becke-Johnson density functional"
  Wanxiang Feng, Di Xiao, Ying Zhang, and Yugui Yao,
  Physical Review B 82, 235121 (2010) Link

• "Quantum anomalous Hall effect in graphene from Rashba and exchange effects"
  Zhenhua Qiao, Shengyuan A. Yang, Wanxiang Feng, Wang-Kong Tse, Jun Ding, Yugui Yao, Jian Wang and Qian Niu,, Jian Wang, & Qian Niu,
  Physical Review B 82, (2010) Link
  

2009

• "Ab initio investigation of magnetic transport properties by Wannier interpolation"
  Yi Liu, Hai-Jun Zhang, and Yugui Yao,,
  Physical Review B 79, 245123 (2009) Link
  

• "First-principles study of the electronic, vibrational, electron-phonon interaction and thermodynamics properties of ZrNi₂Ga"
  Wenmei Ming, Yi Liu, Wei Zhang, Jianzhi Zhao and Yugui Yao,,
  J. Phys.: Condens. Matter 21, 075501 (2009) Link
  

• "Relationships between strain and band structure in Si(001) and Si(110) nanomembranes"
  C. Euaruksakul, F. Chen, B. Tanto, C. S. Ritz, D. M. Paskiewicz, F. J. Himpsel, D. E. Savage, Zheng Liu, Yugui Yao, Feng Liu, and M. G. Lagally,
  Physical Review B 80, 115323 (2009) Link
  

• "Strain effect on the instability of island formation in submonolayer heteroepitaxy"
  Maozhi Li, Yugui Yao, Biao Wu, Zhenyu Zhang, and Enge Wang,
  Europhys. Letters 86, 16001 (2009) Link
  

• "Symmetry Breaking of Graphene Monolayers by Molecular Decoration"
  Xiaochen Dong, Yumeng Shi, Yang Zhao, Dongmeng Chen, Jun Ye, Yugui Yao, Fang Gao, Zhenhua Ni, Ting Yu, Zexiang Shen, Yinxi Huang, Peng Chen, and Lain-Jong Li,
  Physical Review Letters 102, 135501(2009) Link
  

2008

• "Atomistic Origin of Rate-Dependent Serrated Plastic Flow in Metallic Glasses"
  S. Y. Jiang, M. Q. Jiang, L. H. Dai, & Y .G. Yao,
  Nanoscale Res. Letters 3, 524 (2008) Link
  

• "Doping-dependent phase diagram of LaOMAs (M = V-Cu) and electron-type superconductivity near ferromagnetic instability"
  Gang Xu, Wenmei Ming, Yugui Yao, Xi Dai, Shou-Cheng Zhang, & Zhong Fang,
  Europhys. Letters 82, 67002 (2008) Link
  

• "Fully band-resolved scattering rate in MgB₂ revealed by the nonlinear Hall effect and magnetoresistance measurements"
  Huan Yang, Yi Liu, Chenggang Zhuang, Junren Shi, Yugui Yao, Sandro Massidda, Marco Monni, Ying Jia, Xiaoxing Xi, Qi Li, Zikui Liu, Qingrong Feng, & Haihu Wen,
  Physical Review Letters 101, 067001 (2008) Link
  

• "The multiscale model combining elastic theory with ab initio calculations for metal-ceramic interfaces"
  Ying Zhang & Yugui Yao,
  Mod. Phys. Letters B 22, 3135 (2008) Link
  

2007

• "Spin-orbit gap of graphene: First-principles calculations"
  Yugui Yao, Fei Ye, Xiaoliang Qi, Shoucheng Zhang, & Zhong Fang,
  Physical Review B 75, 041401 (2007) Link
  

• "The two-dimensional Peierls-Nabarro model for interfacial misfit dislocation networks of cubic lattice"
  Ying Zhang & Yugui Yao,
  Euro. Phys. J. B 55, 355 (2007). . Link
  

• "Theoretical evidence of the Berry-phase mechanism in anomalous Hall transport: First-principles studies of CuCr₂Se_4-xBr_x "
  Yugui Yao, Yongcheng Liang, Di Xiao, Qian Niu, Shun-Qing Shen, X. Dai, and Zhong Fang,
  Physical Review B 75, 020401 (2007) Link
  

• "反常霍尔效应理论的研究进展"
  梁拥成，张英,郭万林,姚裕贵,方忠，,
  物理，36，385 (2007). Link
  

• "贵金属氮化物晶体结构、电子结构和力学性能的实验与理论研究进展"
  范长增,曾松岩,王渊旭,姚裕贵,张平,刘日平,王文魁,,
  物理，36，221 (2007). Link
  

2006

• "Berry-phase effect in anomalous thermoelectric transport"
  Di Xiao, Yugui Yao, Zhong Fang, & Qian Niu,
  Physical Review Letters 97, 026603 (2006) Link
  

• "Linear magnetization dependence of the intrinsic anomalous Hall effect"
  Changgan Zeng, Yugui Yao, Qian Niu, & Hanno H. Weitering,
  Physical Review Letters 96, 037204 (2006) Link
  

• "Low compressible noble metal carbides with rocksalt structure: Ab initio total energy calculations of the elastic stability"
  Changzeng Fan, Songyan Zeng, Zaiji Zhan, Riping Liu, Wenkui Wang, Ping Zhang, & Yugui Yao,
  Appl. Phys. Letters 89, 071913 (2006) Link
  

• "Potential superhard osmium dinitride with fluorite and pyrite structure: First-principles calculations"
  Changzeng Fan, Songyan Zeng, Lixin Li, Zaiji Zhan, Riping Liu, Wenkui Wang, Ping Zhang, & Yugui Yao,
  Physical Review B 74, 125118 (2006) Link
  

• "Resonant intrinsic spin Hall effect in p-type GaAs quantum well structure"
  Xi Dai, Zhong Fang, Yugui Yao, & Fuchun Zhang,
  Physical Review Letters 96, 086802 (2006) Link
  

• "The Kapitza resistance across grain boundary by molecular dynamics simulation"
  Qiheng Tang & Yugui Yao,
  Nanosc Microsc Therm. 10, 387 (2006) Link
  

2005

• "Ab initio calculation of the intrinsic spin Hall effect in semiconductors"
  G. Y. Guo, Yugui Yao, & Qian Niu,
  Physical Review Letters 94, 226601 (2005) Link
  

• "Coherent wave-packet evolution in coupled bands"
  Dimitrie Culcer, Yugui Yao, & Qian Niu,
  Physical Review B 72, 085110 (2005) Link
  

• "Electrical generation of spin in crystals with reduced symmetry"
  Dimitrie Culcer, Yugui Yao, A. H. MacDonald, & Qian Niu,
  Physical Review B 72, 045215 (2005) Link
  

• "Sign changes of intrinsic spin Hall effect in semiconductors and simple metals: First-principles calculations"
  Yugui Yao & Zhong Fang,
  Physical Review Letters 95, 156601 (2005) Link
  

2004

• "First principles calculation of anomalous Hall conductivity in ferromagnetic bcc Fe"
  Yugui Yao, Leonard Kleinman, A. H. MacDonald, Jairo Sinova, T. Jungwirth, Ding-sheng Wang, Enge Wang, and Qian Niu,
  Physical Review Letters 92, 037204 (2004) Link
  

2003

• "Negative differential magnetization in ultrathin Fe on vicinal W(100)"
  Yugui Yao, Hector C. Mireles, Jie Liu, Qian Niu, and J. L. Erskine,
  Physical Review B 67, 174409 (2003) Link
  

2002

• "Decay characteristics of two-dimensional islands on strongly anisotropic surfaces"
  Yugui Yao, Ph. Ebert, Maozhi Li, Zhenyu Zhang, and E. G. Wang
  Physical Review B 66, 041407 (2002). . Link
  

2001

• "Novel formation and decay mechanisms of nanostructures on the surface"
  Enge Wang, B.G. Liu, J. Wu, M.Z. Li, Yugui Yao, W. G. Zhu, J. X. Zhong, J. Wendelken, Q. Niu, Z. Y. Zhang
  Chin. Phys. B 10, 144 (2001) Link
  

• "Partial synchronization and spontaneous spatial ordering in coupled chaotic systems"
  Ying Zhang, Gang Hu, Hilda A. Cerdeira, Shigang Chen, Thomas Braun, & Yugui Yao,
  Physical Review E 63, 026211 (2001) Link
  

2000

• "Analytical study of spatiotemporal chaos control by applying local injections"
  Gang Hu, Jinghua Xiao, Jihua Gao, Xiangming Li, Yugui Yao, & Bambi Hu,
  Physical Review E 62, 3043 (2000) Link
  

• "Controlling global stochasticity in the standard map"
  Ying Zhang, & Yugui Yao,
  Physical Review E 61, 7219 (2000). . Link
  

• "Controlling Hamiltonian chaos by adaptive integrable mode coupling"
  Ying Zhang, Shigang Chen, and Yugui Yao,
  Physical Review E 62, 2135 (2000) Link
  

• "Noise-induced bifurcations and chaos in the average motion of globally-coupled oscillators"
  Ying Zhang, Gang Hu, Shigang Chen, & Yugui Yao,
  Euro. Phys. J. B 15, 51 (2000). . Link
  

Before 2000

• "Ab initio pair potentials at metal-ceramic interfaces"
  Yugui Yao & Ying Zhang
  Phys. Letters A 256, 391 (1999) Link
  

• "Peierls-Nabarro model of interfacial misfit dislocation: An analytic solution"
  Yugui Yao, T.C. Wang, & Chongyu Wang,
  Physical Review B 59, 8232 (1999) Link
  

• "Spatiotemporal chaos control with pinning signals in distributed systems"
  J.H.Gao, J.H.Xiao, Yugui Yao, & Gang Hu,
  Commun. Theor. Phys. 32, 481 (1999) Link
  

• "The modified Peierls-Nabarro model of interfacial misfit dislocation"
  Yugui Yao, Tsuchiang Wang and Chongyu Wang,
  Acta Mater. 47, 3063 (1999) Link