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研究领域

Density Functional Studies of Physical Properties of Novel Materials State-of-the-art first principles density functional electronic structure calculations have achieved great success in many exciting fields in both explaining existing phenomena and, more importantly, in predicting the properties of new systems. In the new age of information technology and novel man-made materials, computational simulations based on quantum mechanical equations can provide unprecedented physical insights to guide search and design of new materials and devices with properties desired. Members of our group are working on several research directions. We have established long-term active collaborations with many leading experimental groups.

近期论文

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Y.F. Kou, T. Miao, H. Wang, L. Xie, Y.M. Wang, H.X. Lin, S.S. Wang, H. Liu, Y. Bai, Y.Y. Zhu, J. Shao, P. Cai, W.B. Wang, H.F. Du, X.Q. Pan, R.Q. Wu, L.F. Yin and J. Shen, “A Strain-induced New Phase Diagram and Unusually High Curie Temperature in Manganites”, J. Mate. Chem. C, 5, 7813 (2017). S. Dai, Y.S. Hou, M. Onoue, S.Y. Zhang, W.P. Gao, X.X. Yan, G. W. Graham, R.Q. Wu, and X.Q. Pan, “Revealing Surface Elemental Composition and Dynamic Processes Involved in Facet-Dependent Oxidation of Pt3Co Nanoparticles via in Situ Transmission Electron Microscopy”, Nano Lett. 17, 4683 (2017). J.W. Kim, K.W. Kim, H. Wang, J. Sinova, and R.Q. Wu, “Understanding the Giant Enhancement of Exchange Interaction in Bi2Se3-EuS Heterostructures”, Phys. Rev. Lett., 119, 027201 (2017). S. Dai, Y. You, S.Y. Zhang, W. Cai, M. Xu, L. Xie, R.Q. Wu, G.W. Graham, X.Q. Pan, “In-situ Atomic-scale Observation of Oxygen-Driven Core-Shell Formation in Pt3Co Nanoparticles”, Nature Commun. 8, 204 (2017). Z.S. Lu, P. Lv, Z.X. Yang, S. Li, D.W. Ma and R.Q. Wu, “A promising single atom catalyst for CO oxidation: Ag on boron vacancies of h-BN sheet”, Phys. Chem. Chem. Phys. 19, 16795 (2017). Hui Wang, D. Lu, J. Kim, Z. Wang, S. T. Pi and R. Q. Wu, “Searching for Large-gap Quantum Spin Hall Insulators: Boron-Nitride/(Pb,Sn)/α-Al2O3 Sandwich Structures”, Nanoscale, (2017). Yudan Su, Hua Wang, Jie Li, Chuanshan Tian, Ruqian Wu, Xiaofeng Jin and Y. R. Shen, “Absence of Detectable MOKE Signals from Spin Hall Effect in Metals”, Appl. Phys. Lett. 110, 042401 (2017). Z.M. Han, G. Czap, C. Xu, C-l Chiang, Dingwang Yuan, R.Q. Wu, and W. Ho, “Probing Intermolecular Coupled Vibrations between Two Molecules”, Phys. Rev. Lett. 118, 036801 (2017). Shu-Ting Pi, Hui Wang, Jeongwoo Kim, Ruqian Wu, Yin-Kuo Wang, and Chi-Ken Lu“New Class of 3D Topological Insulator in Double Perovskite”, J. Phys. Chem. Lett. 8,332 (2017). Z.M. Han, X.Y. Wei, C. Xu, C.L. Chiang, Y.X. Zhang, R.Q. Wu, and W. Ho, “Imaging van der Waals Interactions”, J. Phys. Chem. Lett. 7, 5205 (2016). Z.Q. Zhang, Y.R. Yang, H.H. Fu, and R.Q. Wu, “Design of spin-Seebeck diode with spin semiconductors”, Nanotechnology, 27, 505201 (2016). P. Kumar, S. Sendelbach, M. A. Beck, J. W. Freeland, Z. Wang, H. Wang, C. C. Yu, R. Q. Wu, D. P. Pappas, R. McDermott, “Origin and Reduction of 1/f Magnetic Flux Noise in Superconducting Devices”, Phys. Rev. Appl(Lett), 6, 041001 (2016). W.C. Yu, J. Lan, R.Q. Wu, and J. Xiao, “Magnetic Snell's law and spin-wave fiber with Dzyaloshinskii-Moriya interaction”, Phys. Rev. B 94, 140410(R), (2016). J.W. Kim, S.H. Jhi, and R.Q. Wu, “Engineering topological surface states of Cr-doped Bi2Se3 films by spin reorientation and electric field”, Nano Lett., 16, 6656 (2016). L. Ma, H. A. Zhou, L. Wang, X. L. Fan, W. J. Fan, D. S. Xue, K. Xia, Z. Wang, R. Q. Wu, G. Y. Guo, and S. M. Zhou, “Spin orbit coupling controlled spin pumping and spin Hall magnetoresistance effects”, Advanced Electronic Materials, 160112 (2016). Bowen Yang, Min-Feng Tu, Jeongwoo Kim, Yong Wu, Hui Wang, Jason Alicea, Ruqian Wu, Marc Bockrath, and Jing Shi, “Tunable spin-orbit coupling and symmetry-protected edge states in graphene/WS2”, 2D Materials, 3, 031012 (2016). L. Gu, H.H. Fu, and R.Q. Wu “How to control spin-Seebeck current in a metal-quantum dot-magnetic insulatorjunction”, Phys. Rev. B, 94 115433 (2016). H. Wang, S. T. Pi, J. Kim, Z. Wang, H. H. Fu and R. Q. Wu, “Possibility of Realizing Quantum Spin Hall Effect at Room Temperature in Stanene/Al2O3(0001)”, Phys. Rev. B, 94, 035112 (2016). Ganesh Raghunath, Alison B. Flatau, Hui Wang and Ruqian Wu,“Magnetoelastic auxetic-like behavior in Galfenol: Experimental data and simulations”, Physica Status Solidi B,253,1440 (2016). H. Y. He, S. T. Pi, Z. Q. Bai, M. Banik, V. A. Apkarian, and R. Q. Wu, “Stark Effect and Nonlinear Impedance of the Asymmetric Ag-CO-Ag Junction: An Optical Rectenna”, J. Phys. Chem. C, 120,20914(2016).

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