谢文辉

1993年9月-1997年7月  兰州大学  学士

1997年9月-2002年7月  兰州大学  博士

2002年7月-2004年7月  中国科学院物理所凝聚态理论与计算实验室，北京

2004年8月-2007年8月  Max-Plank Institute for Solid State Research，Stuttgart, Germany

2007年起                      澳门新莆京游戏大厅   副教授

2013年3月-2013年7月  加拿大McGill大学物理系访问学者

We develop and employ different levels of physical simulation techniques (electronic structure calculation, molecular dynamics, .etc) to investigate the fundamental physical and chemical properties of the materials toward discovery and design for future electronic devices. We apply a variety of computational methods, including: atomistic simulation, density functional theory and so on, to investigate the materials’ structure-property or property-application relation.  

Welcome to the Electronic Structure Calculations (ESC) Group. We study the physics and chemistry of materials using first-principles and atomistic computational methods coupled with high-performance computing technology. Our main tools are density functional theory (DFT) and molecular dynamics (MD), but we also use machine learning (ML) and high-thoughput computing (HTC) methods to take advantage of large data sources.

We are using first-princeple eletronic structure calculation to investigate magnetic, electronic, thermodynamic, and spectroscopic properties of electronic materials and sensor devices, and computationally designing innovative electronic device and technologies broadly spanning materials and molecules in solids, surface and interfaces. We focus on the advance matertial for spintronic, energy applications, heterogeneous catalysis or novel architectures: (i) searching the novel materials for prospective technological applications. (ii) simulations of novel materials and the devices. (iii) understanding the related physics and chemistry, especially the elctronic correlation in these novel materials. 

Our research group are centered on understanding the mechanism of novel quantum phenomenon, and reactions of surface physics and chemistry, which is used to predict emerging spintronics or topological electronics, for developing advanced functional devices and sustainable energy technologies, including following fields：

1. emerging quantum physics：the understanding of correlated electron materials, and play of electron, phonons and defects.

2. physics and chemistry of surface and interface: electronic states of nanoscale material on surface, physics  phenomenon in surface and interface, simulation and mechanism of catalysis. 

3. machine learning and high-thoughput computing：predict and design novel material, application of deep learning in physics and chemistry.

承担物理和电子科学学院的研究生和本科生的骨干课程教学，并开设本科生自主实验，指导本科生创新创业项目，指导本科生毕业论文。主讲《固体物理》、《计算物理》、《材料物性的模拟和计算》、《固体的能带理论和电子性质》《高等固体物理》和《大学物理实验》等多门课程。

主持和参与多项国家自然科学基金和省部级的重点和面上基金项目:

国家自然科学基金青年项目：用NMTO方法研究强关联电子系统的物性

国家自然科学基金面上项目：钙钛矿氧化物异质结中原子无序对磁电性能的影响

上海市科委科技重点项目（参与）：可控表面囚禁分子阵列的量子信息操控

上海市科委科技项目：运用第一原理方法研究和探索钙钛矿半金属复合材料

上海市科委科技项目：二维半导体材料与器件的界面物性及输运性质研究

1.W. H. Xie, Y. Q. Xu, B. G. Liu and D. G. Pettifor, Physical Review Letters91, 037204 (2003), Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides. 

2.W. H. Xie and B. G. Liu, Journal of Physics-condensed Matter15, 5085 (2003), Half-metallic ferromagnetism in vanadium chalcogenides. 

3.W. H. Xie, Y. Q. Xu, B. G. Liu and D. G. Pettifor, Physical Review B68,134407 (2003), Half-metallic ferromagnetism in transition metal pnictides and chalcogenides with wurtzite structure. 

4.W. H. Xie, B. G. Liu, Journal of Applied Physics96, 3559 (2004), Half-metallic ferromagnetism in ternary transition-metal compounds based on ZnTe and CdTe semiconductors.

5.Y. H. Zhao, W. H. Xie, L. F. Zhu, B. G. Liu,Journal of Physics-condensed Matter18, 10259 (2006),Half-metallic ferromagnets based on the rock-salt IV-VI semiconductor GeTe. 

6.W. H. Xie, O. Jepsen, O. K. Andersen, Y. L. Chen and Z-X Shen, Physical Review Letters98，047001 (2007),Insights from ARPES for an undoped, four-layered, two-gap high-Tcsuperconductor. 

7.J. S. Kim, W. H. Xie, R. K. Kremer, O. Jepsen and A. Simon, Physical Review B, 76, 014516 (2007), Strong electron-phonon coupling in the rare-earth carbide superconductor La₂C₃. (Online Link; Citation：2)

8.O. P. Sushkov, W. H. Xie, O. Jepsen, O. K. Andersen, G. A. Sawatzky,Physical Review B77, 035124 (2008), Anisotropies in insulating La_2-xSr_xCuO₄: angular resolved photoemission and optical absorption. 

9.W. H. Xie, Mingli Bao, Zhenjie Zhao, Bang-Gui Liu, Physical Review B79, 115128 (2009),First-principles investigation of effect of pressure on BaFe₂As₂.

10.Fu Zheng, Xuan Wang, Xu Li, Jianmin Bai, Dan Wei, Xiaoxi Liu, Wenhui Xie, and Fulin We, J. Appl. Phys.109, 07B509 (2011), High Frequency Characteristics of FeCoAlO Thin Films Combined the Effects of Stress and Magnetic Field

11.Min Zhu, Yong Lin, Edward W. C. Lo, Qiong Wang, Zhengjie Zhao, and Wenhui Xie, Appl. Phys. Lett.100, 062406 (2012), Electronic and magnetic properties of La2NiMnO6 and La2CoMnO6 with cationic ordering

12.Xiaofeng Wang, Sumei Huang and Wenhui Xie, J. Appl. Phys.112, 023701 (2012) Crystal structure and electronic structure of quaternary semiconductors Cu$_2$ZnTiSe$_4$ and Cu$_2$ZnTiS$_4$ for solar cell absorber

13.Juan Huang, Wenhui Xie and Xiaohong Li,Journal of Magnetism and Magnetic Materials, 364, 1 (2014)The stability, magnetism and electronic structure of Fe15TMN2 and Fe14TM2N2 (TM=Cr, Mn, Co, and Ni)

14.H. J. Mao, Y. F. Wei, Hong, Gui, Z. J. Zhao and W. H. Xie, J. Appl. Phys. 115, 213910 (2014) First-principle investigations of K2NiF4-type double perovskite oxides La4B′B″O8 (B′B″ = Fe, Co, Ni)

15.Wei, Yingfen; Gui, Hong; Li, Xin; Zhao, Zhenjie; Zhao, Yong-Hong; Xie, Wenhui; JOURNAL OF PHYSICS-CONDENSED MATTER 27 206001 (2015) The effect of hydrogen ordering on the electronic and magnetic properties of the strontium vanadium oxyhydride

16.Gui, Hong; Li, Xin; Lv Wenxing; Zhao, Zhenjie; Xie, Wenhui; JOURNAL OF ELECTRONIC MATERIALS 45, 4843-4846 (2015) Structural and Electronic Properties of Sr2CoO2Cl2

17.Gui, Hong; Wei, Yinfen, Mao Hejie, Li, Xin; Zhao, Zhenjie; Xie, Wenhui; EPL 110, 37006 (2015) Magnetic and optical anisotropy in the infinite-chains iron oxide Sr2FeO3: A first-principle investigation

18.Gui, Hong; Li, Xin; Zhao, Zhenjie; Xie, Wenhui;JOURNAL OF PHYSICS D-APPLIED PHYSICS 49, 055303（2016）Pressure-induced structural and magnetic transitions in the infinite-chains iron oxide Sr2FeO3: a first-principle investigation

19.Han, Y; Li, X; Lv, WX; Xie, WH; Zhao, Q; Zhao, ZJ; JOURNAL OF ALLOYS AND COMPOUNDS 678, 494-498 (2016) Magnetoimpedance effect of FINEMET ribbons coated with Fe20Ni80 permalloy film

20.Wang, Ze-Lian; Xie, Wen-Hui; Zhao, Yong-Hong; FRONTIERS OF PHYSICS 12 127103 (2017) Tunable band structure and effective mass of disordered chalcopyrite

21.Wang, Busheng; Lu, Qing; Ge, Yanfeng; Zhang, Kaicheng; Xie, Wenhui; Liu, Wu-Ming; Liu, Yong; Physical Review B, 96 134116 (2017) Magnetic diversity in stable and metastable structures of CrAs

22.Pan, Huiyan; Li, Junrui; Lu, Jiqing; Wang, Guimei; Xie, Wenhui; Wu, Peng; Li, Xiaohong; JOURNAL OF CATALYSIS 354, 24-36 (2017) Selective hydrogenation of cinnamaldehyde with PtFex/Al2O3@SBA-15 catalyst: Enhancement in activity and selectivity to unsaturated alcohol by Pt-FeOx and Pt-Al2O3@SBA-15 interaction

23.Pan, H. L; Li, X; Zhang, Q; Wang, JT; Xie, WH; Zhao, ZJ; JOURNAL OF PHYSICS D-APPLIED PHYSICS 50 305002 (2017) Dipole-dipole interaction in electronic article surveillance system

24.Guo, Lingxia; Shi, Yuchen; Liu, Xiangfei; Han, Zhitao; Zhao, Zhenjie; Chen, Yong; Xie, Wenhui; Li, Xin; BIOSENSORS & BIOELECTRONICS 99, 368 (2018) Enhanced fluorescence detection of proteins using ZnO nanowires integrated inside microfluidic chips

25.Xie, WJ; Zhou, JP; Huang, SM; Ou-Yang, W; Xie, WH; Sun, Z; Chen, XH；ORGANIC ELECTRONICS，VOL.59, IS., P.272-278 (2018) Plasmon-enhanced perovskite solar cells using ultra-thin LiF spacer isolating AgAl and Au composite nanoparticles from metal electrode

26.Yu Li, Qianqian Wang, Wenhui Xie and Yifeng Yang, Physical Review B, 100, 085132 (2019) Nearly degenerate p(x) + ip(y) and dx2-y2 pairing symmetry in the heavy fermion superconductor YbRh2Si2

27.Hu, Xiao; Zhang, Yaqiong; Fan, Shuaiyu; Li, Xin; Zhao, Zhenjie; He, Chao; Zhao, Yonghong; Liu, Yong; Xie, Wenhui; Journal of Physics-condensed Matter, 32 205901 (2020) Searching high spin polarization ferromagnet in Heusler alloy via machine learning

上海市青年科技启明星人才计划

2017年优秀研究生教学奖