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Distinguished Scholars

Yugui Yao

Title: Distinguished Professor & Dean

Tel: 010-81383385

Department: Computational Physics

E-mail: ygyao@bit.edu.cn ygyao@iphy.ac.cn

Address: Room A416, Science Building, School of Physics, Beijing Institute of Technology, 102488, Fangshan District,Beijing, China.

Education

Ph. D., Institute of Mechanics, CAS, China, 1995-1999.
M. S., Shanghai Institute of Optics & Fine Mechanics, CAS, China, 1992-1995.
B. S., Nankai University, China, 1988-1992

Professional experience

Professor, School of Physics, Beijing Institute of Technology, China, 2011-present.
Visiting Scholar, Department of Physics, University of Texas at Austin, USA, 2009-2010.
Researcher Professor, Institute of Physics, CAS, Beijing, China, 2007-2011.
Associate Researcher Professor, Institute of Physics, CAS, China, 2004-2007.
Assistant Researcher, Institute of Physics, CAS, China, 2001-2004.
Postdoctoral Researcher, Department of Physics, University of Texas at Austin, USA, 2001-2003.
Postdoctoral Researcher, State Key Laboratory for Surface Physics, Institute of Physics, CAS, China, 1999-2001.

Research Interests

Principal research areas include computational physics, condensed matter physics, and materials physics. More specifically, it includes the following several aspects:
(1) Development of the first-principles calculation method & quantum theory for materials
a) Evaluations of Z2 and Chern topological invariants
b) Investigation of correlation between electronic structures, Berry phase effects, and various quantum phenomena in systems with spin-orbit coupling. Studies of anomalous Hall effect, spin Hall effect, anomalous Nernst Hall effect, thermoelectricity, magneto-optic effect, transport, exciton, plasmon, etc.
c) Exploration of the emergent particles in condensed matters through group representation theory, and the development of related software packages for group representation theory.
(2) Design and application of quantum functional materials
a) 3D and 2D topological materials
b) Superconductors, especially topological superconductors
c) 2D novel layered materials, especially materials with strong spin-orbit coupling
d) Application of quantum materials for next-generation optical, electronic, and spintronic devices

Publications

Publications

Over 240 peer-reviewed papers, including Nature (1), Physical Review Letters (26), Physical Review A/B/E/Materials/Research (100), Nature Materials (3), Nature Communications (10), PNAS (1), Nano Letters (4), Advanced Materials (1), ACS Nano (4), Chemical Society Reviews (1), Progress in Materials Science (1), Nature Reviews Physics (1), etc.

Citations > 18000 times, H-index = 59

Full Publications and Citations: http://www.researcherid.com/rid/A-8411-2012

or https://publons.com/researcher/1641653/yugui-yao/

Selected Publications

1. Cheng-Cheng Liu, Wanxiang Feng and Yugui Yao*, “Quantum spin Hall effect in silicene and two-dimensional germanium”, Phys. Rev. Lett., 107, 076802 (2011). Times Cited: 1808.

2. Yugui Yao, Fei Ye, Xiao-Liang Qi, Shou-Cheng Zhang and Zhong Fang, “Spin-orbit gap of graphene: First-principles calculations”, Phys. Rev. B (Rapid Comm.), 75, 041401(R) (2007). Times Cited: 728.

3. Yugui Yao, Leonard Kleinman, A. H. MacDonald, Jairo Sinova, T. Jungwirth, Ding-sheng Wang, Enge Wang and Qian Niu, “First principles calculation of anomalous Hall conductivity in ferromagnetic bcc Fe”, Phys. Rev. Lett., 92, 037204 (2004). Times Cited: 577.

4. Lan Chen, Cheng-Cheng Liu, Baojie Feng, Xiaoyue He, Peng Cheng, Zijing Ding, Sheng Meng, Yugui Yao* and Kehui Wu*, “Evidence for Dirac fermions in a honeycomb lattice based on silicon”, Phys. Rev. Lett., 109, 056804 (2012). Times Cited: 613.  

5. Baojie Feng, Zijing Ding, Sheng Meng, Yugui Yao, Xiaoyue He, Peng Cheng, Lan Chen* and Kehui Wu*, “Evidence of silicene in honeycomb structures of silicon on Ag (111)”, Nano Lett., 12, 3507 (2012). Times Cited: 1039.

6. Cheng-Cheng Liu, Hua Jiang* and Yugui Yao*, “Low-energy effective Hamiltonian involving spin-orbit coupling in silicene and two-dimensional germanium and tin”, Phys. Rev. B, 84, 195430 (2011). Times Cited: 1018.

7. Zhenhua Qiao, Shengyuan A. Yang, Wanxiang Feng, Wang-Kong Tse, Jun Ding, Yugui Yao*, Jian Wang and Qian Niu, “Quantum anomalous Hall effect in graphene from Rashba and exchange effects”, Phys. Rev. B (Rapid Comm.), 82, 161414(R) (2010). Times Cited: 510.

8. Di Xiao, Yugui Yao, Wanxiang Feng, Jun Wen, Wenguang Zhu, Xing-Qiu Chen, G. Malcolm Stocks and Zhenyu Zhang, “Half-heusler compounds as a new class of three-dimensional topological insulators”, Phys. Rev. Lett., 105, 096404 (2010). Times Cited: 287.

9. Hui Pan, Zhenshan Li, Cheng-Cheng Liu, Guobao Zhu, Zhenhua Qiao* and Yugui Yao*, “Valley-polarized quantum anomalous-Hall effect in silicene”, Phys. Rev. Lett., 112, 106802 (2014). Times Cited: 265.

10. Wanxiang Feng, Di Xiao*, Jun Ding and Yugui Yao*, “Three-dimensional topological insulators in I-III-VI2 and II-IV-V2 chalcopyrite semiconductors”, Phys. Rev. Lett., 106, 016402 (2011). Times Cited: 119.

11. Zhi-Ming Yu, Yugui Yao* and Shengyuan A. Yang*, “Predicted unusual magnetoresponse in type-II Weyl semimetals”, Phys. Rev. Lett., 117, 077202 (2016). Times Cited: 177.

12. Changgan Zeng, Yugui Yao, Qian Niu and Hanno H. Weitering, “Linear magnetization dependence of the intrinsic anomalous Hall effect”, Phys. Rev. Lett., 96, 037204 (2006). Times Cited: 144.

13. Wanxiang Feng, Di Xiao, Ying Zhang and Yugui Yao*, “Half-heusler topological insulators: a first-principles study with the Tran-Blaha modified Becke-Johnson density functional”, Phys. Rev. B, 82, 235121 (2010). Times Cited: 142.

14. Di Xiao, Yugui Yao, Zhong Fang and Qian Niu, “Berry-phase effect in anomalous thermoelectric transport”, Phys. Rev. Lett., 97, 026603 (2006). Times Cited: 298.

15. Jun Ding, Zhenhua Qiao*, Wanxiang Feng, Yugui Yao* and Qian Niu, “Engineering quantum anomalous/valley Hall states in graphene via metal-atom adsorption: an ab-initio study”, Phys. Rev. B, 84, 195444 (2011). Times Cited: 195.

16. G. Y. Guo, Yugui Yao and Qian Niu, “Ab initio calculation of the intrinsic spin Hall effect in semiconductors”, Phys. Rev. Lett., 94, 226601 (2005). Times Cited: 115.

17. Yugui Yao and Zhong Fang, “Sign changes of intrinsic spin Hall effect in semiconductors and simple metals: first-principles calculations”, Phys. Rev. Lett., 95, 156601 (2005). Times Cited: 119.

18. Jian-Min Zhang, Wenguang Zhu*, Ying Zhang, Di Xiao and Yugui Yao*, “Tailoring magnetic doping in the topological insulator Bi2Se3”, Phys. Rev. Lett., 109, 266405 (2012). Times Cited: 123.

19. Wanxiang Feng, Yugui Yao*, Wenguang Zhu, Jin-jian Zhou, Wang Yao and Di Xiao*, “Intrinsic spin Hall effect in monolayers of group-VI dichalcogenides: A first-principles study”, Phys. Rev. B, 86, 165108 (2012). Times Cited: 182.

20. Wanxiang Feng, Jun Wen, Jin-jian Zhou, Di Xiao and Yugui Yao*, “First-principles calculation of topological invariants Z2 within the FP-LAPW formalism”, Comput. Phys. Commun., 183, 1849 (2012). Times Cited: 40.

21. Feng Liu, Cheng-Cheng Liu, Kehui Wu, Fan Yang* and Yugui Yao*, “d+id chiral superconductivity in bilayer silicene”, Phys. Rev. Lett., 111, 066804 (2013). Times Cited: 143.

22. Jin-Jian Zhou, Wanxiang Feng, Cheng-Cheng Liu, Shan Guan and Yugui Yao*, “Large-gap quantum spin Hall insulator in single layer bismuth monobromide Bi4Br4”, Nano Lett., 14, 4767 (2014). Times Cited: 132.

23. Zhigang Song, Cheng-Cheng Liu, Jinbo Yang*, Jingzhi Han, Meng Ye, Botao Fu, Yingchang Yang, Qian Niu, Jing Lu* and Yugui Yao*, “Quantum spin Hall insulators of BiX/SbX (X = H, F, Cl, and Br) monolayers with a record bulk band gap”, NPG Asia Mater., 6, e147 (2014). Times Cited: 218.

24. Cheng-Cheng Liu, Shan Guan, Zhigang Song, Shengyuan A. Yang, Jinbo Yang and Yugui Yao*, “Low-energy effective Hamiltonian for giant-gap quantum spin Hall insulators in honeycomb X-hydride/halide (X=N-Bi) monolayers”, Phys. Rev. B, 90, 085431 (2014). Times Cited: 115.

25. Junping Hu, Bo Xu*, Chuying Ouyang, Shengyuan A. Yang and Yugui Yao*, “Investigations on V2C and V2CX2 (X = F, OH) monolayer as a promising anode material for Li ion batteries from first-principles calculations”, J. Phys. Chem. C, 118, 24274 (2014). Times Cited: 219.

26. Cheng-Cheng Liu, Jin-Jian Zhou, Yugui Yao* and Fan Zhang*, “Weak topological insulators and composite Weyl semimetals: β-Bi4X4 (X=Br, I)”, Phys. Rev. Lett., 116, 066801 (2016). Times Cited: 61.

27. 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*, “Rise of silicene: A competitive 2D material”, Prog. Mater. Sci., 83, 24 (2016).  (Review Article). Times Cited: 551.

28. Xiaoming Zhang, Junping Hu, Yingchun Cheng, HuiYing Yang*, Yugui Yao* and Shengyuan A. Yang*, Borophene as an extremely high capacity electrode material for Li-ion and Na-ion batteries, Nanoscale, 8, 15340, (2016). Times Cited: 276.

29. Yanfeng Ge, Fan Zhang* and Yugui Yao*, “First-principles demonstration of superconductivity at 280 K in hydrogen sulfide with low phosphorus substitution”, Phys. Rev. B, 93, 224513 (2016). Times Cited: 78.

30. Wenhui Wan, Yugui Yao*, Liangfeng Sun, Cheng-Cheng Liu and Fan Zhang*, “Topological, valleytronic, and optical properties of monolayer PbS”, Adv. Mater., 1604788 (2017). Times Cited: 19.

31. Shan Guan, Zhi-Ming Yu, Ying Liu, Gui-Bin Liu, Liang Dong, Yunhao Lu, Yugui Yao* and Shengyuan A. Yang*, “Artificial gravity field, astrophysical analogues, and topological phase transitions in strained topological semimetals”, NPJ Quantum Mater., 2, 23 (2017). Times Cited: 96.

32. Furu Zhang, Jianhui Zhou*, Di Xiao and Yugui Yao*, “Tunable intrinsic plasmons due to band inversion in topological materials”, Phys. Rev. Lett., 119, 266804 (2017). Times Cited: 15.

33. 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 Cu2Si”, Nat. Commun., 8, 1007 (2017). Times Cited: 169.

34. Si Li, Zhi-Ming Yu, Ying Liu, Shan Guan, Shan-Shan Wang, Xiaoming Zhang, Yugui Yao* and Shengyuan A. Yang*, “Type-II nodal loops: theory and material realization”, Phys. Rev. B, 96, 081106 (2017). Times Cited: 136.

35. Douxing Pan, Chao Wang, Tzu-Chiang Wang* and Yugui Yao*, “Graphene foam: uniaxial tension behavior and fracture mode based on a mesoscopic model”, ACS Nano, 11, 8988 (2017). Times Cited: 24.

36. Wenhui Wan, Chang Liu, Wende Xiao and Yugui Yao*, “Promising ferroelectricity in 2D group IV tellurides: a first-principles study”, Appl. Phys. Lett., 111, 132904 (2017). Times Cited: 77.

37. Tingting Zhang, Zhiming Yu*, Wei Guo, Dongxia Shi, Guangyu Zhang* and 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. Lett., 2017, 8 (23), 5792-5797. Times Cited: 49.

38. 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 MoS2/graphene heterojunctions”, Nat. Commun., 9, 4068 (2018). Times Cited: 62.

39. 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 X3SiTe6 (X= Ta, Nb)”, Phys. Rev. B, 97, 045131, (2018). Times Cited: 86.

40. 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 Mater., 3, 16 (2018). Times Cited: 51.

41. Zhi-Ming Yu, Ying Liu, Yugui Yao and Shengyuan A. Yang, “Unconventional pairing induced anomalous transverse shift in Andreev reflection”, Phys. Rev. Lett., 121, 176602 (2018). Times Cited: 9.

42. 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 TaIrTe4”, ACS Nano, 2019, 13, 8, 9571-9577. Times Cited: 13.

43. Xiang Li, Dongyun Chen, Meiling Jin, 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 α-Bi4Br4”, PNAS, 2019, 1909276116. Times Cited: 21.

44. 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”, Phys. Rev. Lett., 123, 116401 (2019). Times Cited: 42.

45. 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* and Dong Sun*, “Robust edge photocurrent response on layered type-II Weyl semimetal WTe2”, Nat. Commun., 10, 5736 (2019). Times Cited: 29.

46. Run-Wu Zhang, Zeying Zhang, Cheng-Cheng Liu*, Yugui Yao*, “Nodal line spin-gapless semimetals and high-quality candidate materials”, Phys. Rev. Lett., 124, 016402 (2020). Times Cited: 30.

47. Wanxiang Feng, Xiaodong Zhou, Jan-Philipp Hanke, Guang-Yu Guo, Stefan Blugel, Yuriy Mokrousov, and Yugui Yao*, “Topological magneto-optical effects and their quantization in noncoplanar antiferromagnets”, Nat. Commun., 11, 118 (2020). Times Cited: 22.

48. Zhi-Ming Yu, Zeying Zhang, Gui-Bin Liu, Weikang Wu, Xiao-Ping, Li, Run-Wu Zhang, Shengyuan A. Yang, and Yugui Yao*, “Encyclopedia of emergent particles in three-dimensional crystals”, Sci. Bull., 67, 4 (2022). ~1200 pages. Times Cited: 22.

49. Gui-Bin Liu, Zeying Zhang, Zhi-Ming Yu, Shengyuan A. Yang, and Yugui Yao*, “Systematic investigation of emergent particles in type-III magnetic space groups”, Phys. Rev. B, 105, 085117 (2022). ~1800 pages. Times Cited: 4.

50. Zeying Zhang, Gui-Bin Liu, Zhi-Ming Yu, Shengyuan A. Yang, and Yugui Yao*, “Encyclopedia of emergent particles in type-IV magnetic space groups”, Phys. Rev. B, 105, 104426 (2022). ~1500 pages. Times Cited: 0.

51. Zeying Zhang, Zhi-Ming Yu, Gui-Bin Liu*,and Yugui Yao*, “MagneticTB: A package for tight-binding model of magnetic and non-magnetic materials”, Comput. Phys. Commun., 270, 108153 (2022). Times Cited: 4.

52. Gui-Bin Liu*, Miao Chu, Zeying Zhang, Zhi-Ming Yu, and YuguiYao*, “SpaceGroupIrep: A package for irreducible representations of space group”, Comput. Phys. Commun., 270, 108153 (2022). Times Cited: 11.

53. Jiadong Zhou*, Wenjie Zhang, Yung-Chang Lin, Jin Cao, Yao Zhou, Wei Jiang, Huifang Du, Bijun Tang, Jia Shi, Bingyan Jiang, XunCao, Bo Lin, Qundong Fu, Chao Zhu, Guo Wei ,Yizhong Huang, Yuan Yao, Stuart S. P. Parkin, Jianhui Zhou, Yanfeng Gao, Yeliang Wang, Yanglong Hou, Yugui Yao*, Kazu Suenaga*, Xiaosong Wu*, and Zheng Liu*, “Heterodimensional superlattice with in-plane anomalous Hall effect”, Nature, 609, 46 (2022). Times Cited: 0.

54. Jiadong Zhou*, Chao Zhu, Yao Zhou, Jichen Dong, Peiling Li, Zhaowei Zhang, Zhen Wang, Yung-Chang Lin, Jia Shi, Runwu Zhang, Yanzhen Zheng, Huimei Yu, Bijun Tang, Fucai Liu, Lin Wang, Liwei Liu, Gui-Bin Liu, Weida Hu, Yanfeng Gao, Haitao Yang, Weibo Gao, Li Lu, Yeliang Wang, Kazu Suenaga, Guangtong Liu, Feng Ding, Yugui Yao*, and Zheng Liu*, “Composition and phase engineering of metal chalcogenides and phosphorous chalcogenides”, Nat. Mater., 10.1038/s41563-022-01291-5 (2022). Times Cited: 2.

55. Di Zhou*, D. Zeb Rocklin, Michael Leamy, and Yugui Yao*, “Topological invariant and anomalous edge modes of strongly nonlinear systems”, Nat. Commun., 13, 1 (2022). Times Cited: 0.

56. Yan-Wei Li*, Yugui Yao*, and Massimo Pica Ciamarra*,“Local plastic response and slow heterogeneous dynamics of supercooled liquids”, Phys. Rev. Lett. 128, 258001 (2022). Times Cited: 1.

57. Xiaodong Zhou, Run-Wu Zhang, Xiuxian Yang, Xiao-Ping Li, Wanxiang Feng*, Yuriy Mokrousov*, and Yugui Yao*, “Disorder- and topology-enhanced fully spin-polarized currents in nodal chain spin-gapless semimetals”, Phys. Rev. Lett. 129, 097201 (2022). Times Cited: 0.


Positions

Awards and Honors

Outstanding Achievements in Science and Technology Award, CAS, China (group prize, 2011)

National Science Fund for Distinguished Young Scholars, China (2012)

Cheung Kong Professor, Ministry of Education, China (2012)

Young and Middle-aged Science and Technology Innovation Leader, Ministry of Science and Technology, China (2014)

National Ten Thousand Plan Leading Talents, China (2016)

National Natural Science Award, China (2018)

Highly Cited Researcher by Clarivate Analytics (2018 - 2021)

State Department special allowance experts, China (2020)


Professional Society and Editorial Board Membership

The Chinese Computational Physical Society, Council Member (2012 - 2021)

The Chinese Physical Society: Committee on Computational Condensed Matter Physics, Committee Member (2013 - Present)

The Chinese Physical Society: Committee on the Popularization of Science, Committee Member (2019 - Present).

The Chinese Materials Society: Committee on Computational Materials, Deputy Secretary-General (2016 - Present)

International Journal of Modern Physics B, Associate Managing Editor (2007 - Present)

Modern Physics Letters B, Associate Managing Editor (2007 - Present)

Scientific Reports, Editor (2015 - 2020)

Europe Physical Journal B, Editor (2017 - 2020)

SPIN, Editor (2019- Present)

Physics (物理),Editor (2020- Present)


Professional Contributions

Prof. Yao developed ab initio methods for calculations of anomalous transverse transport coefficients and topological invariants, and some of those methods and results have been written into textbooks. He led the research of two-dimensional topological insulators, such as silicene, where a theoretical model was proposed that has been widely cited and titled with our names as LYFE model. He created an encyclopedia of emergent particles in three-dimensional crystals, which provides concrete guidance to explore emergent particles in condensed matter systems.

1. Study on anomalous transport: Yao develops the first principles calculation method of the anomalous Hall conductivity [PRL 92, 037204 (2004), cited 597 times]. Yao’s contributions also include clarifying the physical mechanism of anomalous Hall effect, and pointing out the importance of Berry phase quantitatively. Professor David Vanderbilt in Rutgers University stated in his speech of the Rahman prize (2006) that this work was a significant progress for the application of the Berry phase to the electronic structures of real materials. In 2012, he again pointed out in his review paper [Rev. Mod. Phys. 84, 1419 (2012)] that this work was a “pioneering” work for calculating the Berry curvature in the first-principles method. In addition, his group reproduced this work by the Wannier interpolation method as well. Cooperating with experimental partners, Yao et. al. proposes the method for separating the intrinsic and extrinsic contribution to the anomalous Hall effect, and give a theoretical explanation of the linear magnetization dependence of the intrinsic anomalous Hall effect [PRL 96, 037204 (2006), cited 144 times]. These results have been written into the physics textbook “Condensed Matter Physics” (Chapter 17, page 504) by Professor Michael P. Marder (Wiley Press, 2nd Ed, 2010). Also, Yao first employs the first-principles method to investigate anomalous thermoelectric coefficient [PRL97, 026603 (2006), cited 298 times] and spin Hall conductivity [PRL 95, 156601 (2005), cited 119 times; PRL 94, 226601 (2005), cited 115 times], and finds that there is huge spin Hall effect in metal. In 2022, Yao et. al. first reported an intrinsic heterodimensional superlattice with in-plane anomalous Hall effect [Nature 609,46 (2022);arXiv:2208.14251]

2. Study on topological insulator: We develop the code for calculating topological invariant Z2 of arbitrary system within first-principles method for the first time [PRL 106, 016402 (2011) cited 287 times; Comput. Phys. Commun.183,1849 (2012)]. Yao et. al. successfully predict that plenty of topological insulators may exist in the Half-Heusler [PRL 106, 016402 (2011), cited 287 times; PRB 82, 235121 (2010), cited 142 times] and chalcopyrite [PRL 106, 016402 (2011), cited 119 times], Some of the half-Heusler TIs have been experimentally confirmed by other research groups. Yao et. al. first propose many novel two-dimensional large-gap topological insulators (including silicene, germanene [PRL 107, 076802 (2011)], stanene[PRB 84, 195430 (2011)], BiX/SbX monolayers [NPG Asia Mater. 6, e147 (2014), cited 218 times; PRB 90, 085431 (2014), cited 115 times], and demonstrate it is impossible to realize the quantum spin Hall effect in pristine graphene through investigating its effective spin-orbit coupling strength [PRB 75, 041401(R) (2007), cited 728 times]. In 2022, Yao and collaborators successfully observed quantum spin Hall edge states at room temperature in a single crystal Bi4Br4 [Nat. Mater. 10.1038/s41563-022-01304-3 (2022)], experimentally verified the Bi4Br4 system with excellent performance proposed by Yao et. al. 8 years ago [Nano Lett. 14, 4767 (2014), cited 132 times]. Moreover, we first propose valley-polarized quantum anomalous-Hall states [PRL 112, 106802 (2014)] and high-temperature topological superconductivity in silicene [PRL 111, 066804 (2013)]. These theoretical predictions inspire the theoretical study and experimental synthesis of silicene. The proposed effective Hamiltonian in silicene (called LYFE model, here Y refers to Yao) has been extensively applied to study various physical properties of these graphene-like systems. The aforementioned theoretical works have significant influence, for example, PRL 107, 076802 (2011), PRB 84, 195430 (2011) and PRB 75, 041401(R) (2007) have been cited 1808, 1018 and 728 times, respectively. Yao et. al. also first predict the quantum anomalous Hall effect may be observed in graphene by introducing Rashba SOC and exchange effects [PRB 82, 161414(R) (2010), cited 510 times] and tunable intrinsic plasmons due to band Inversion in topological materials [PRL 119, 266804 (2017)].

3. Study on emergent particles: Yao et. al. accomplished an encyclopedia of all possible particles in the 230 space groups with time-reversal symmetry and established detailed correspondence between the particle, the symmetry condition, the effective model, and the topological character [Sci. Bull., 67(4), 345 (2022), a total of 1200 pages], which has attracted immense attention [cited more than 30 times]. Yao et. al. further performed a systematic investigation of emergent particles in magnetic systems, and addressed this challenging task by exploring the possibilities of the emergent particles in the 674 type-III magnetic space groups (MSGs) [PRB 105, 085117 (2022), a total of 1800 pages] and 517 type-IV MSGs [PRB 105, 104426 (2022), a total of 1500 pages]. Thereinto, it is the first time to find the emergent particles with topological charge of 4 (C-4 WP), the cubic crossing Dirac points, and so on. These results offer an extremely useful toolbox for future studies. Moreover, Yao et. al. established the domestic database of their reducible (co-) representation and emergent particles in one-, two-, and three-dimensional point groups, space groups, magnetic space groups and their subperiodic groups through group representation theory with completely independent intellectual property rights, and further developed powerful software packages including SpaceGroupIrep [Comput. Phys. Commun., 265, 107993 (2021)], MagneticTB [Comput. Phys. Commun., 270, 108153 (2022)] and PhononIrep [arXiv:2201.11350 (2022)].


Yao et. al. have accomplished a series of remarkable original works in the prediction and exploration of emergent particles, especially in topological semimetals. Recently, Yao et. al. have reported the discovery of fourfold (twofold) degenerate Dirac (Weyl) nodal lines in a 2D Cu2Si (GdAg2) system based on combined experimental measurements and theoretical calculations [Nat. Commun., 8, 1007 (2017), cited 169 times; PRL 123,116401 (2019)]. Yao et. al. also proposed the existence of some previously unrecognized type of topological semimetals, including the type-II nodal loops [PRB 96, 081106(R) (2017), cited 136 times], type-III Weyl semimetals [PRB103, L081402 (2021)], spin gapless semimetals [PRL 124, 016402 (2020), Nano Lett. 21, 8749 (2021)], etc. Moreover, Yao et. al. investigate many novel properties of topological states, including predicted unusual magnetoresponse in type-II Weyl semimetals [PRL 117, 077202 (2016), cited 177 times], topological magneto-optical effects and their quantization in noncoplanar antiferromagnets [Nat. Commun. 11, 118 (2020)], etc.  

招生信息

Our team plans to recruit a number of escort or postgraduate entrance examination (master, master or doctoral candidates) , post-doctoral every year. Research interests include Condensed State theory, calculation and experiment. Requirements for students: 1. Love scientific research, if you do not really like or only need a diploma please do not apply for me; 2. Hard work and initiative. 3. Encourage cross-disciplinary (physics, mathematics, mechanics, computer science, materials and other professional students can apply for me) . Please contact me before applying for the examination, excellent students can be pre-admitted after the interview, during the reading performance of excellent exchange opportunities abroad. More than 20 doctoral students have graduated so far, and most of them work in universities or research institutes.