电子邮件: sdeng@fjirsm.ac.cn
通信地址: 福建省福州市闽侯县高新大道8号
邮政编码: 350002
导师简介
邓水全,1964年出生,毕业于四川大学。1986至1992年在中科院福建物构所硕博联读获博士学位。从1992到1995年先后任物构所助理/副研究员,课题组长。1995年9月到1996年4月在瑞士日内瓦大学任客座科学家。1996到1998年在德国马普固体科学所任客座科学家。从1998年在该所晋升为二级研究员,Simon研究部理论组组长,2004年起晋升为一级研究员。2007年起被聘为鞍山科技大学荣誉教授,2013至2015年被聘为西南交通大学客座教授。2014年9月以中科院海西研究院****方式引进物构所,任研究员、课题组组长。2015年8月入选福建省****创新人才。研究领域为材料多尺度结构与性能的理论与模拟。
研究领域
本课题组致力于用理论手段研究材料电子到宏观尺度的结构及其与性能的关系。我们强调采用对称性和拓扑性质来描述结构及其变化。课题组承担有973项目子课题及福建省****创新人才等多项科研课题。
1)基于第一原理方法和模型研究的电子结构理论;
2)非线性现象的理论,如固体材料的非线性光学和多铁性质;
3)超导电性和多体相互作用,如电子-声子,电子-磁振子等;
4)稀土基激光晶体及其它发光材料的机理;
5)光催化现象的理论及第一性原理研究
招生方向
研究方向
科研活动
科研项目
代表著作
(1) Cheng, X.; Gordon, E. E.; Whangbo, M. H.; Deng, S. Superconductivity Induced by Oxygen Doping in Y2O2Bi. Angew. Chem. Int. Ed. 2017, 56, 10123-10126.
(2) Cheng, X.; Whangbo, M. H.; Guo, G. C.; Hong, M. C.; Deng, S. The Large Second-Harmonic Generation of LiCs2PO4 is caused by the Metal-Cation-Centered Groups. Angew. Chem. Int. Ed. 2018, 57, 3933-3937.
(3) Gordon, E. E.; Cheng, X.; Kim, J.; Cheong, S. W.; Deng, S.; Whangbo, M. H. Nonequivalent Spin Exchanges of the Hexagonal Spin Lattice Affecting the Low-Temperature Magnetic Properties of RInO3 (R = Gd, Tb, Dy): Importance of Spin-Orbit Coupling for Spin Exchanges between Rare-Earth Cations with Nonzero Orbital Moments. Inorg. Chem. 2018, 57, 9260-9265.
(4) Whangbo, M. H.; Deng, S.; Kohler, J.; Simon, A. Interband Electron Pairing for Superconductivity from the Breakdown of the Born-Oppenheimer Approximation. Chemphyschem 2018, 19, 3191-3195.
(5) Xu, J.; Cheng, X.; Deng, S. The High Reactive Site and the Unusually Short Sc-C BOND of the Scandium Phosphinoalkylidene Complex, an Explanation from First-Principles Calculation. Int. J. Quantum Chem 2018, 118.
(6) Cheng, X.; Whangbo, M. H.; Hong, M. C.; Deng, S. Dependence of the Second-Harmonic Generation Response on the Cell Volume to Band-Gap Ratio. Inorg. Chem. 2019, 58, 9572-9575.
(7) Chi, Y.; Xu, J.; Xue, H. G.; Zhang, Y. P.; Chen, X. L.; Whangbo, M. H.; Guo, S. P.; Deng, S. Triple-Kagome-Layer Slabs of Mixed-Valence Rare-Earth Ions Exhibiting Quantum Spin Liquid Behaviors: Synthesis and Characterization of Eu9MgS2B20O41. J. Am. Chem. Soc. 2019, 141, 9533-9536.
(8) Guo, S. P.; Cheng, X. Y.; Sun, Z. D.; Chi, Y.; Liu, B. W.; Jiang, X. M.; Li, S. F.; Xue, H. G.; Deng, S. Q.; Duppel, V.; Kohler, J.; Guo, G. C. Large Second Harmonic Generation (SHG) Effect and High Laser-Induced Damage Threshold (LIDT) Observed Coexisting in Gallium Selenide. Angew. Chem. Int. Ed. 2019, 58, 8087-8091.
(9) Zhang, Y. P.; Cheng, X.; Wu, C.; Kohler, J.; Deng, S. Electronic Structure and Lithium Diffusion in LiAl2(OH)6Cl Studied by First Principle Calculations. Molecules 2019, 24.
(10) Cai, Z.; Cheng, X.; Whangbo, M.-H.; Hong, M.; Deng, S. The Partition Principles for Atomic-Scale Structures and Their Physical Properties: Application to the Nonlinear Optical Crystal Material KBe2BO3F2. Phys. Chem. Chem. Phys. 2020, 22, 19299-19306.
(11) Cheng, X.; Li, Z.; Wu, X.-T.; Hong, M.; Whangbo, M.-H.; Deng, S. Key Factors Controlling the Large Second Harmonic Generation in Nonlinear Optical Materials. Acs Appl. Mater. Inter. 2020, 12, 9434-9439.
(12) Cheng, X.; Whangbo, M. H.; Hong, M. C.; Deng, S. Atom Response Theory of Nonlinear Optical Responses and Its Applications. Chin. J. Struct. Chem. 2020, 39, 2172-2181.
(13) Fu, J. T.; Xu, J.; Lin, J.; Kohler, J.; Deng, S. "Flat/steep Band Model" for Superconductors Containing Bi Square Nets. Z.Naturforsch.(B) 2020, 75, 183-190.
(14) Jia, M.; Cheng, X.; Whangbo, M.-H.; Hong, M.; Deng, S. Second Harmonic Generation Responses of KH2PO4: Importance of K and Breaking Down of Kleinman Symmetry. Rsc Adv. 2020, 10, 26479-26485.
(15) Kang, X. Y.; Cheng, X.; Deng, S. The Bubble Problem of the Plasma Facing Material: A Finite Element Study. Nucl. Eng. Technol. 2020, 52, 2290-2298.
(16) Maggard, P. A.; Cheng, X.; Deng, S.; Whangbo, M. H. Physical Properties of Molecules and Condensed Materials Governed by Onsite Repulsion, Spin-Orbit Coupling and Polarizability of Their Constituent Atoms. Molecules 2020, 25, 21.
(17) Ye, R.; Cheng, X.; Liu, B.-W.; Jiang, X.-M. J.; Yang, L.-Q.; Deng, S.; Guo, G. C. Strong Nonlinear Optical Effect Attained by Atom-Response-Theory Aided Design in the Na2MIIMIV2Q6 (MII=Zn, Cd; MIV= Ge, Sn; Q= S, Se) Chalcogenide system. J. Mater. Chem. C 2020, 8, 1244-1247.
(18) Zhang, Y. Q.; Cheng, X.; Tu, D. T.; Gong, Z. L.; Li, R. F.; Yang, Y. J.; Zheng, W.; Xu, J.; Deng, S. Q.; Chen, X. Y. Engineering the Bandgap and Surface Structure of CsPbCl3 Nanocrystals to Achieve Efficient Ultraviolet Luminescence. Angew. Chem. Int. Ed. 2021, 60, 9693 – 9698.