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《Chinese Journal of High Pressure Physics》 2006-01
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Study of Optical Properties and Electronic Structure of V in ZnS by First Principles

HE Kai-Hua~(1,2),YU Fei~(2,3),JI Guang-Fu~2,YAN Qi-Li~3,ZHENG Shu-Kui~4(1.College of Mathematics and Physics,China University of Geosciences,Wuhan 430074,China;2.Institute of Fluid Physics CAEP,Mianyang 621900,China;3.Institute of Solid States,Sichuan Normal University,Chengdu 610066,China;4.Department of Architecture,Xihua University,Chengdu 610039,China)  
The optical properties and electrical structure of V in ZnS supercell have been computed by means of plane wave pseudo-potential method(PWP) with generalized gradient approximation(GGA).The calculated optical property is in consist with the values calculated by the theory of crystal field and with the experiment results.By importing impurity,the energy level has a shift about(-2.5eV.)The Mulliken charge of V is 0.28,which is smaller than every kind of Zn,and the covalency of bond S—V is strongest than other bonds,and the length is the shortest.
【Fund】: 中国工程物理研究院科学基金资助项目(20030103)
【CateGory Index】: O472.3
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8 ;The Research Status and Development Trends of Metal Oxide Gas Sensors[J];Materials Review;1998-06
9 JIA Baoping HE Yuehui TANG Jiancheng DENG Yida HUANG Boyun LIU Yexiang (State Key Laboratory for Powder Metallurgy ,Central South University,Changsha 410083,China);Review of Investigation and Application of ZnS Doping Technology[J];Materials Review;2002-08
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