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科研项目 2014年1月—2017年12月 ABO3/SrTiO3氧化物异质结电磁输运性质的研究, 国家自然科研基金面上项目,负责人,批准号:11374186 2013年1月—2017年12月 氧化物异质界面的理论模拟与物性研究,国家自然科研基金重点项目,子项目负责人,批准号:51231007 2005年1月-2005年12月 PVDF基铁电聚合物表面电子结构的第一性原理研究 国家自然科研基金,负责人,批准号:10447124 2005年1月-2007年12月 铁电体表面界面的第一性原理研究 国家自然科学基金,主要参加者,批准号:10474057 2007年5月-2012年12月, 热电材料电热输运的物理机制 国家重点基础研究发展计划基金, 主要参与者, 课题编号:2007CB607504

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J C Li, C L Wang, M X Wang, H. Peng, et al, A study of the vibrational and thermoelectric properties of Silicon type I and II clathrates, J. Appl. Phys. 105, 043503 (2009) J C Li, C Zhang, R Z Zhang, C L Wang, J L Zhang, M L Zhao and L M Mei, Electronic structure and thermoelectric properties of Fe-doped BaTiO3 and SrTiO3, IEEE, 978, 175-179 (2008)  李吉超,王春雷,李茂奎,张睿智,王美晓,彭华,张艳飞, 共聚物P(VDF/TrFE)振动模局域化的研究, 压电与声光,30(2008)47  J. C. Li, R Q Zhang, C L Wang, N. B. Wong, Effect of thickness on the electronic structure of Poly(vinylidene fluoride) molecular films from first-principles calculations, Phys Rev B 75, 155408 (2007).  J. C. Li, C. L. Wang, W. L. zhong, P. L. Zhang, Q. H. Wang and J. F. Webb,Vibrational mode analysis of -phase poly(vinylidene fluoride), Appl. Phys. Lett., 81, 2223 (2002).  J. C. Li , C.L.Wang, W. L. Zhong and P. L. Zhang,Geometry and electronic structure of PVDF/TrFE copolymer, Sythetic Metal, 135, 471 (2003).  J. C. Li, C. L. Wang, W. L. Zhong and Z. F. Li,Vibrational modes analysis of Poly (vinylidene Fluride-Trifluoroethylene), Chin. Phys. Lett., 20, 921 (2003).  J. C. Li, Wang and W. L. Zhong,The effect of trifluorothylene monomer on molecular conformation of poly (vinylidene fluoride-Trifluoroethylene), Chin. Phys. 13(3), 344(2004).  J. C. Li, Wang, W. L. Zhong, X. Y. Xue and Y. X. Wang, The first principle calculation study of all trans molecular chain of PVDF, Acta Phys. Sinica 51(4), 776 (2002).  J. C. Li, Wang and W. L. Zhong, Study of vibrational modes of PVDF,Acta Physico-Chimica Sinica 19(11), 1010 (2003).  J C Li, C L Wang, K Yang, X Y Wang, M L Zhao, J L Zhang, Electronic structure of - and -phase of poly(vinylidene fluoride), Integrated Ferroelectrics, 78, 27 (2006).  K Yang, C L Wang, J C Li, C Zhang, R Z Zhang, Y F Zhang, Q Z Wu, Y G Lv, and N Yin, Structural and polarization properties of short-period SrZrO3/SrTiO3 superlattices Phys. Rev. B 75, 224117 (2007).  R. Z. Zhang, C. L. Wang, J. C. Li, J. L. Zhang, K. Yang, and C. Zhang, H. M. Chen, Dopant position in Ti-doped high-temperature phase Ta2O5: First principles study, Appl. Phys. Lett. 91, 092909, (2007).  C L Wang, J C Li, M L Zhao, J L Zhang and W L Zhong, C. Aragó, M. I. Marqués, J.A. Gonzalo, Electric Field Induced Phase Transition in First Order Ferroelectrics with Large Zero Point Energy, Physica A 387, 115 (2008).  C L Wang, J C Li, M L Zhao, K Yang, X Y Wang, J L Zhang, Simulation of domain patterns in fatigued ferroelectric films, Integrated Ferroelectrics 78, 69 (2006).  C. L.Wang, J. C. Li, W. L. Zhong, P. L. Zhang and Q. H. Wang,Sythetic Metal 135, 469(2003).  K Yang, C L Wang, J C Li, M L Zhao, X Y Wang, Strain induced ferroelectricity in the SrZrO3/ SrTiO3 superlattice: first principles study, Solid State Commun.,139, 144 (2006).  C. Zhang., C. L. Wang, J. C.Li, K. Yang, Y. F. Zhang, and Q. Z. Wu, Surface rumples and band gap reductions of cubic BaZrO3 (001) surface studied by means of first-principles calculations, Chinese Physics B ,17(1) , 1-7(2008).  C. Zhang, C.L. Wang, J.C. Li, K. Yang, Y.F. Zhang, Q.Z. Wu, Substitutional position and insulator-to-metal transition in Nb-doped SrTiO3, Materials Chemistry and Physics, 107, 215 (2008).  C. Zhang, C L Wang, J C Li and K Yang, Structural and electronic properties of Fe-doped BaTiO3 and SrTiO3, Chinese Physics, 16, 1422-1428 (2007).  K Yang, C L Wang, J C Li, C Zhang, Q Z Wu, Y F Zhang, N Yin and X Y Liu, Surface rumpling of cubic CaTiO3 from density functional theory, Chin. Phys., 15, 1580-1585 (2006).  K Yang, C L Wang, J C Li, Electronic structure of relaxor PMN Integrated Ferroelectrics, 78, 113-117(2006). 出版的书目: 王春雷,李吉超, 赵明磊, 压电铁电物理, 科学出版社, 北京 2009。

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