研究方向?yàn)槟蹜B(tài)理論物理及計(jì)算物理。利用第一性原理計(jì)算、蒙特卡羅( Monte Carlo)等數(shù)值方法,結(jié)合緊束縛( TB)和k.p模型以及基于群論的對稱性分析等解析方法來研究凝聚態(tài)物質(zhì)的電、光、自旋、能谷、及拓?fù)湎嚓P(guān)的新奇物性。目前的研究內(nèi)容包括低維凝聚態(tài)體系的電子結(jié)構(gòu)和物性,以及光子晶體及超材料中的拓?fù)洮F(xiàn)象。
29. Maoyuan Wang, Gui-Bin Liu∗, Hong Guo, and Yugui Yao∗, An efficient method for hybrid density functional calculation with spinorbit coupling, Computer Phys. Commun. 224, 90 (2018).
28. Pei Yang, Li-Jie 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 functional calculations in CuInS2, J. Phys. D 51,025105 (2018).
27. Yong Wang, Zhan Wang, Wang Yao, Gui-Bin Liu∗, and Hongyi Yu∗, Interlayer coupling in commensurate and incommensurate bilayer structures of transition-metal dichalcogenides, Phys. Rev. B 95, 115429 (2017).
26. 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 Materials 2, 23 (2017).
25. Hongyi Yu, Gui-Bin Liu, Jianju Tang, Xiaodong Xu, and Wang Yao, Moire excitons: From programmable quantum emitter s to spin-orbit-coupled artificial lattices, Science Advances 3, e1701696 (2017).
24. Wanxiang Feng, Cheng-Cheng Liu, Gui-Bin Liu, Jin-Jian Zhou, and Yugui Yao, First-principles investigations on the Berry phase effect in spin-orbit coupling materials, Comput. Mater. Sci. 112, 428 (2016).
23. Yue Wu, Qingjun Tong, Gui-Bin Liu, Hongyi Yu, and Wang Yao, Spin-valley qubit in nanostructures of monolayer semiconductors: Optical control and hyperfine interaction, Phys. Rev. B 93, 045313 (2016).
22. 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, and Ning Wang, Even-odd layer-dependent magnetotransport of high-mobility Q-valley electrons in transition metal disulfides, Nature Commun. 7, 12955 (2016). (★ These authors contributed equally to this work.)
21. Hongjun Liu, Jinglei Chen, Hongyi Yu, Fang Yang, Lu Jiao, Gui-Bin Liu, Wingking Ho, Chunlei Gao, Jinfeng Jia, Wang Yao, and Maohai Xie, Observation of intervalley quantum interference in epitaxial monolayer tungsten diselenide, Nature Commun. 6, 8180 (2015).
20. Gui-Bin Liu, Di Xiao, Yugui Yao, Xiaodong Xu, and Wang Yao, Electronic structures and theoretical modelling of two-dimensional group-VIB transition metal dichalcogenides, Chem. Soc. Rev. 44, 2643 (2015).
19. Jin-Jian Zhou, Wanxiang Feng, Gui-Bin Liu, and Yugui Yao, Topological edge states in singleand multi-layer Bi4Br4, New J. Phys. 17, 015004 (2015).
18. Hongyi Yu, Yue Wu, Gui-Bin Liu, Xiaodong Xu, and Wang Yao, Nonlinear Valley and Spin Currents from Fermi Pocket Anisotropy in 2D Crystals, Phys. Rev. Lett 113, 156603 (2014).
17. Gui-Bin Liu,Hongliang Pang, Yugui Yao, and Wang Yao, Intervalley coupling by quantum dot confinement potentials in monolayer transition metal dichalcogenides, New J. Phys 16, 105011 (2014).
16. Hongyi Yu, Gui-Bin Liu, Pu Gong, Xiaodong Xu, and Wang Yao, Dirac cones and Dirac saddle points of bright excitons in monolayer transition metal dichalcogenides, Nature Commun. 5, 3876 (2014).
15. Rui-Lin Chu, Gui-Bin Liu, Wang Yao, Xiaodong Xu, Di Xiao, and Chuanwei Zhang, Spinorbit-coupled quantum wires and Majorana fermions on zigzag edges of monolayer transition-metal dichalcogenides, Phys. Rev. B 89, 155317 (2014).
14. Jian-Min Zhang, Wenmei Ming, Zhigao Huang, Gui-Bin Liu, Xufeng Kou, Yabin Fan, Kang L. Wang, and Yugui Yao, Stability, electronic, and magnetic properties of the magnetically doped topological insulators Bi2Se3, Bi2Te3, and Sb2Te3, Phys. Rev. B 88, 235131 (2013).
13. Gui-Bin Liu, Wen-Yu Shan, Yugui Yao, Wang Yao, and Di Xiao, Three-band tight-binding model for monolayers of group-VIB transition metal dichalcogenides, Phys. Rev. B 88, 085433 (2013).
12. Hualing Zeng, Gui-Bin Liu, Junfeng Dai, Yajun Yan, Bairen Zhu, Ruicong He, Lu Xie, Shijie Xu, Xianhui Chen, Wang Yao, and Xiaodong Cui, Optical signature of symmetry variations and spin-valley coupling in atomically thin tungsten dichalcogenides, Scientific Reports 3, 1608 (2013).
11. Sanfeng Wu, Jason S. Ross, Gui-Bin Liu, Grant Aivazian, Aaron Jones, Zaiyao Fei, Wenguang Zhu, Di Xiao, Wang Yao, David Cobden, and Xiaodong Xu, Electrical tuning of valley magnetic moment through symmetry control in bilayer MoS2, Nature Phys. 9, 149 (2013).
10. Zhirui Gong★, Gui-Bin Liu★, Hongyi Yu, Di Xiao, Xiaodong Cui, Xiaodong Xu, and Wang Yao, Magnetoelectric effects and valley-controlled spin quantum gates in transition metal dichalcogenide bilayers, Nature Commun. 4, 2053 (2013). (★ These two authors contribute equally.)
9. Di Xiao, Gui-Bin Liu, Wanxiang Feng, Xiaodong Xu, and Wang Yao, Coupled Spin and Valley Physics in Monolayers of MoS2 and Other Group-VI Dichalcogenides, Phys. Rev. Lett. 108, 196802 (2012).
8. Kai-Cheng Zhang, Yong-Feng Li, Gui-Bin Liu, and Yan Zhu, Spin glass transition in canonical AuFe alloys: A numerical study, Phys. Lett. A 376, 1898 (2012).
7. Kai-Cheng Zhang, Gui-Bin Liu and Yan Zhu, Chiral-glass transition in a diluted dipolar-interaction Heisenberg system, Phys. Lett. A 375, 2041 (2011).
6. Gui-Bin Liu and Bang-Gui Liu, Dynamical Monte Carlo investigation of spin reversal and nonequilibrium magnetization of single-molecule magnets, Phys. Rev. B 82, 134410 (2010).
5. Gui-Bin Liu and Bang-Gui Liu, Nonequilibrium ferromagnetism of interacting Single-Molecular Magnets, Appl. Phys. Lett. 95, 183110 (2009).
4. Gui-Bin Liu and Bang-Gui Liu, A Green’s function model for ferromagnetism and spin excitations of (Ga,Mn)As diluted magnetic semiconductors, Chin. Phys. B 18, 5047 (2009).
3. Yong-Feng Li, Gui-Bin Liu, Li-Jie Shi and Bang-Gui Liu, Fe-Vacancy-Induced Ferromagnetism in Tetragonal FeSe Thin Films, Chin. Phys. Lett 26, 127505 (2009).
2. Gui-Bin Liu and Bang-Gui Liu, Temperature-dependent striped antiferromagnetism of LaFeAsO in a Green’s function approach, J. Phys.: Condens. Matter 21, 195701 (2009).
1. Gui-Bin Liu and Bang-Gui Liu, Domain structures of ultrathin magnetic nanobelts, Phys. Lett. A 372, 3857 (2008).2. Gui-Bin Liu and Bang-Gui Liu, Temperature-dependent striped antiferromagnetism of LaFeAsO in a Green’s function approach, J. Phys.: Condens. Matter 21, 195701 (2009).