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《Acta Optica Sinica》 2007-12
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Density Functional Calculations of Electronic Structure and Optical Properties on Mg and Ni-Doped CdS

Xiong Zhihua Rao Jianping Jiang Fengyi(Education Ministry Research Center for Luminescence Materials and Devices,Nanchang University,Nanchang 330047)  
The structure,electronic properties and optical properties of zinc blende CdS and CdS∶M(M=Mg,Ni) were studied systemically from density functional theory(DFT) based on first-principles pseudopotential calculations.It showed that the M-doped material had a smaller lattice constant,which resulted in a local lattice distortion.The band structure and density of states(DOS) were further calculated,which indicated that CdS∶Ni was half metallic ferromagnetic semiconductor while CdS∶Mg was semiconductor with bigger band gap due to the introduction of Ni 3d and Mg 3s.The optical property was also studied from the calculated absorption coefficients,which showed that the absorption peaks changed obviously at the visible light wavelength area for the M-doped CdS.Furthermore,the absorption ranges was extended to even higher wavelength region for the Ni-doped CdS.
【Fund】: 国家863计划纳米专项(2003AA302160);; 电子信息产业发展基金资助课题
【CateGory Index】: O641.1
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【References】
Chinese Journal Full-text Database 8 Hits
1 Feng Liping Liu Zhengtang Xu Bing(State Key Laboratory of Solidification Processing,College of Materials Science and Engineering,Northwestern Polytechnical University,Xi'an,Shaanxi 710072,China);First-Principles Calculations of Electronic Structure and Optical Properties of c-HfO_2[J];Acta Optica Sinica;2008-11
2 Chen Qian1,2 Xie Quan1,2 Yang Chuanghua1,2 Zhao Fengjuan1,21College of Science,Guizhou University,Guiyang,Guizhou 550025,China2Institute of New Type Optoelectronic Materials and Technology,Guizhou University,Guiyang,Guizhou 550025,China;First-Principles Calculation of Electronic Structure and Optical Properties of Mg_2Si with Doping[J];Acta Optica Sinica;2009-01
3 Ma Deming Shi Wei Li Enling Hou Liping Dai Yuanbin(Science School, Xi'an University of Technology, Xi'an, Shaanxi 710048, China);Structure and Photoelectron Energy Spectrum of Ga_2As_n Ion Clusters[J];Acta Optica Sinica;2009-04
4 Zhou Shiyun 1,2 Xie Quan1 Yan Wanjun 1,2 Chen Qian1 1Institute of New Type Optoelectronic Materials and Technology,Guizhou University,Guiyang,Guizhou 550025,China 2Department of Physics,Anshun College,Anshun,Guizhou 561000,China;First-Principles Calculation of Electronic Structure and Optical Properties of CrSi_2 with Doping Mn[J];Acta Optica Sinica;2009-10
5 Cui Dongmeng1,2 Xie Quan1,2 Chen Qian1,2 Zhao Fengjuan1,2 Li Xuzhen1,2 (1Institute of New-Type Optoelectronic Materials and Technology,Guizhou University,Guiyuang,Guizhou 550025,China 2School of Sciences,Guizhou University,Guiyang,Guizhou 550025,China);Study on the Electronic Structure and Optical Properties of Ru_2Si_3 Epitaxial on Si(001)[J];Acta Optica Sinica;2009-11
6 Li Chunxia1 Dang Suihu1 Han Peide21College of Physics and Electronic Engineering,Yangtze Normal University,Chongqing 408003,China2College of Materials Science and Engineering,Taiyuan University of Technology,Taiyuan,Shanxi 030024,China;Vacancies Effects on Electronic Structure and Optical Properties of CdS[J];Acta Optica Sinica;2010-05
7 Cai Jianqiu1,2 Tao Xiangming2 Luo Haijun1,2 Jin Qingli1 Huang Yunmi11College of Physics and Electronic Information Engineering,Wenzhou University,Wenzhou,Zhejiang,325035 China2Department of Physics,College of Science,Zhejiang University,Hangzhou,Zhejiang 310027,China;Ab-initio Investigation of Anisotropic Optical Properties of Sr_2RuO_4[J];Acta Optica Sinica;2010-12
8 Dang Sui-Hu1) Li Chun-Xia1)Han Pei-De2)1)(College of Physics and Electronic Engineering,Yangtze Normal University,Chongqing 408003,China)2)(College of Materials Science and Engineering,Taiyuan University of Technology,Taiyuan 030024,China);First-principles calculation of CdS electronic structure doped with Mg and Cu[J];Acta Physica Sinica;2009-06
【Citations】
Chinese Journal Full-text Database 3 Hits
1 Gu Peifu Li Haifeng Ye Hui Liu Xu Tang Jinfa (The State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310027) (Received 4 May 1998; revised 30 July 1998);The Properties of CdS and CdSe Double Layered Films Doping with Copper and Chlorine[J];ACTA OPTICA SINICA;1999-09
2 Li Dan 1) Ma Guohong 1) Huang Weimin 2) Qian Shixiong 1) 1), Department of Physics, Fudan University, Shanghai 200433 2), Shanghai Institute of Ceramics, The Chinese Academy of Sciences, Shanghai 200050;Optical Property of CdS Nanocrystals in ZrO_2 Thin Film[J];Acta Optica Sinica;2002-06
3 Shen Jie~1Ma Guohong~2Zhang Zhuangjian~1Hua Zhongyi~1Tang Singhai~21 Department of Materials Science, Fudan University, Shanghai 2004332 Department of Physics, National University of Singapore, Singapore;Research on Two-Photon Absorption Enhancement of CdS in One-Dimensional Photonic Band Gap Structures[J];Acta Optica Sinica;2005-08
【Co-citations】
Chinese Journal Full-text Database 5 Hits
1 XU Jingxian,ZHAO Ying,YANG Xiuchun(School of Materials Science and Engineering,Tongji University,Shanghai 200092);Research Progress on Third-order Optical Nonlinearity of Nanopartical-Dielectric Composites[J];Materials Review;2009-13
2 ZHANG Dong-ping1, 2,SHAO Shu-ying2,HUANG Jian-bing2,ZHAN Mei-qiong2, FAN Zheng-xiu2,SHAO Jian-da2 ( 1. Department of Applied Physics, School of Science, Shenzhen University, Shenzhen 518060, China; 2. R&D Center for Optical Thin Film Coatings, Shanghai Institute of Optics and Fine Mechanics, the Chinese Academy of Sciences, Shanghai 201800, China );Characters of ZrO_2 films deposited by electron beam evaporation at different oxygen partial pressure[J];Opto-Electronic Engineering;2006-06
3 Shen Jie~1 Ma Guohong~(2,3) Zhang Zhuangjian~1 Hua Zhongyi~1 Tang Xinghai~21 Department of Material Science,Fudan University,Shanghai 2004332 Department of Physics,National University of Singapore,Singapore3 Department of Physics,Shanghai University,Shanghai 200444;Research on Two-Photon Absorption Enhancement in One-Dimensional Photonic Crystals with Double Defect Modes[J];Acta Optica Sinica;2006-09
4 Li Chunxia1 Dang Suihu1 Han Peide21College of Physics and Electronic Engineering,Yangtze Normal University,Chongqing 408003,China2College of Materials Science and Engineering,Taiyuan University of Technology,Taiyuan,Shanxi 030024,China;Vacancies Effects on Electronic Structure and Optical Properties of CdS[J];Acta Optica Sinica;2010-05
5 DING Rui-qin (Institute of Thin Film and Nanomaterials, Wuyi Univ., Jiangmen 529020, China);Present Status of and Prospects for the Research on Semiconductor Nano-granular Materials Embedded in Medium Matrix[J];Journal of Wuyi University(Natural Science Edition);2003-04
【Co-references】
Chinese Journal Full-text Database 10 Hits
1 JIANG Hongyi ZHANG Lianmeng (School of Materials Science and Engineering,Wuhan University of Technology,Wuhan 430070);Progress in Research on Mg-Si Based Thermoelectric Compounds[J];Materials Review;2002-03
2 XU Rong-Hui1,2,WANG Yong-Xian1*,JIA Guang-Qiang3,XU WanBang1,2,YIN Duan-Zhi1(1.Radiopharmaceutical Centre of Shanghai Institute of Applied Physics,Chinese Academy of Sciences,Shanghai 201800,China;2.Graduate University of Chinese Academy of Sciences,Beijing 100049,China;3.Instrumental Analysis and Research Centre of Shanghai University,Shanghai 200444,China);Synthesis of Zinc Blende CdS Nanocrystallites Using 3-Mercaptopropionic Acid as Precursor by Hydrothermal Method[J];Chemical Journal of Chinese Universities;2007-02
3 Xiao Qi Qiu Guanzhou Qin Wenqing Wang Dianzuo ( Institute of Inorganic Materials , Department of Mineral Processing, Central South University, Changsha 410083) (Received 23 July 2001; revised 10 December 2001);Density Functional Calculation of Electronic Structure and Optical Properties of FeS2(Pyrite)[J];Acta Optica Sinica;2002-12
4 Peng Xingping Yang Yinghu Song Chang′an Wang Yinyue (School of Physics Science and Technology, Lanzhou University, Lanzhou 73000);Preparation and Study of Properties of Indium-Doped ZnO Films on Si Substrates[J];Acta Optica Sinica;2004-11
5 Shen Jie~1Ma Guohong~2Zhang Zhuangjian~1Hua Zhongyi~1Tang Singhai~21 Department of Materials Science, Fudan University, Shanghai 2004332 Department of Physics, National University of Singapore, Singapore;Research on Two-Photon Absorption Enhancement of CdS in One-Dimensional Photonic Band Gap Structures[J];Acta Optica Sinica;2005-08
6 Liu Shijie~(1,2) Kong Weijing~(1,2) Shen Zicai~(1,2) Shao Jianda~1 He Hongbo~1 Fan Zhengxiu~11 Shanghai Institute of Fine Mechanics and Optics,the Chinese Academy of Sciences,Shanghai 2018002 Graduate School of the Chinese Academy of Sciences,Beijing 100049;Rigorous Vector Analysis of Multi-Layer Dielectric Film Pulse Compression Gratings[J];Acta Optica Sinica;2006-05
7 Zhang Fuchun~(1,2) Deng Zhouhu~2 Yan Junfeng~2 Zhang Zhiyong~21 College of Physics & Electronics,Yan'an University,Yan'an 7160002 School of Information Science and Technology,Northwest University,Xi'an 710069;First-Principles Calculation of Electronic Structure and Optical Properties of ZnO[J];Acta Optica Sinica;2006-08
8 Ding Liyun~1 Jiang Desheng~1 Huang Jun~(1,2)1 Key Laboratory of Fiber Optic Sensing Technology and Information Processing,Ministry of Education, Wuhan University of Technology,Wuhan 4300702 Key Laboratory of Nonferrous Materials and New Processing Technology,Guilin University of Technology, Ministry of Education,Guilin 541004;Photorefractive Effect of Polymer Sensitized by CdS Nanoparticles[J];Acta Optica Sinica;2006-10
9 Li Enling1 Ma Deming1 Ma Hong1 Wang Xuewen2 Wang Xue1 Yuan Yongxia1(1 Science School,Xi'an University of Technology,Xi'an 710048 2 School of Information Science and Technology,Northwestern University,Xi'an 710069);Study on Structure and Photoelectron Spectroscopy about Si_(n-1)N and Si_(n-2)N_2(n=3~8) Ion Clusters[J];Acta Optica Sinica;2007-11
10 Chen Libai Guo Zhenning Lin Jieben(College of Information Science and Technology,Huaqiao University,Quanzhou,Fujian,362021,China);Study on Application of One-Dimensional Photonic Crystal Microcavity to Luminescence of Silicon-Based Material[J];Acta Optica Sinica;2008-09
【Secondary References】
Chinese Journal Full-text Database 9 Hits
1 Qiu Mingbo~(1,2) Huang Yinhui~1 Liu Zhidong~(1,2) Tian Zongjun~2 Wang Wei~2 (1 Jiangsu Key Laboratory of Precision and Micro-Manufacturing Technology,Nanjing University of Aeronautics and Astronautics,Nanjing,Jiangsu 210016,China 2 College of Mechanical and Electrical Engineering,Nanjing University of Aeronautics and Astronautics,Nanjing,Jiangsu 210016,China);Study on Energy Distribution at Electrode of Electrical Discharge Machining Based on Photon Emission[J];Acta Optica Sinica;2009-09
2 Cui Dongmeng1,2 Xie Quan1,2 Chen Qian1,2 Zhao Fengjuan1,2 Li Xuzhen1,2 (1Institute of New-Type Optoelectronic Materials and Technology,Guizhou University,Guiyuang,Guizhou 550025,China 2School of Sciences,Guizhou University,Guiyang,Guizhou 550025,China);Study on the Electronic Structure and Optical Properties of Ru_2Si_3 Epitaxial on Si(001)[J];Acta Optica Sinica;2009-11
3 Li Chunxia1 Dang Suihu1 Han Peide21College of Physics and Electronic Engineering,Yangtze Normal University,Chongqing 408003,China2College of Materials Science and Engineering,Taiyuan University of Technology,Taiyuan,Shanxi 030024,China;Vacancies Effects on Electronic Structure and Optical Properties of CdS[J];Acta Optica Sinica;2010-05
4 Lin Xue Feng Dan Zhang Ronghong Li Quan Zhao Keqing(Key Laboratory of Advanced Functional Materials,Sichuan Province Higher Education System,College of Chemistry and Material Science,Sichuan Normal University,Chengdu,Sichuan 610066,China);Electronic Spectra and the Second-Order Nonlinear Optical Properties of Liquid Crystalline Molecules with Imine and Cholesteryl Moieties[J];Acta Optica Sinica;2010-05
5 Cai Jianqiu1,2 Tao Xiangming2 Luo Haijun1,2 Jin Qingli1 Huang Yunmi11College of Physics and Electronic Information Engineering,Wenzhou University,Wenzhou,Zhejiang,325035 China2Department of Physics,College of Science,Zhejiang University,Hangzhou,Zhejiang 310027,China;Ab-initio Investigation of Anisotropic Optical Properties of Sr_2RuO_4[J];Acta Optica Sinica;2010-12
6 LIU Wen-qiang1,LIU Dian-kui2 (1.Heilongjiang College of Construction Vocational and Technical,Harbin Heilongjiang 150025,China;2.Heilongjiang Agricultural Cultivation Construction Road and Bridge Co.,Ltd,Harbin Heilongjiang 150080,China);Analysis of Thermo-elasticity and Thermal Dynamic Properties of Cubic Hafnium Dioxide at High Pressure and High Temperature[J];Forestry Machinery & Woodworking Equipment;2010-01
7 LIU Qi-jun,LIU Zheng-tang,FENG Li-ping,XU Bing(State Key Laboratory of Solidification Processing,College of Materials Science and Engineering, Northwestern Polytechnical University,Xi'an 710072,China);Calculations on Electronic Structure and Optical Properties of Cubic HfO_2 Doped by Silicon[J];Journal of Qingdao University of Science and Technology(Natural Science Edition);2010-01
8 CUI En-Tian LU Gong-Xuan(State Key Laboratory for Oxo Synthesis and Selective Oxidation,Lanzhou Institute of Chemical Physics,Lanzhou 730000);Resistance Difference to Photocorrosion of Cu_xCd_(1-x)S Photocatalysts with Various Morphologies[J];Chinese Journal of Inorganic Chemistry;2010-12
9 Li Jian-Hua Zeng Xiang-Hua Ji Zheng-Hua HuYi-Pei Chen Bao Fan Yu-Pei(College of Physics Science and Technology,Yangzhou University,Yangzhou 225002,China);Electronic structure and optical properties of Ag-doping and Zn vacancy impurities in ZnS[J];Acta Physica Sinica;2011-05
【Secondary Citations】
Chinese Journal Full-text Database 2 Hits
1 An Liping Liu Nianhua (Department Of Physics, Nanchang University, Nanchang 330047) (Received 19 September 2002; revised 22 November 2002);Ultraslow Group Velocity in Photonic Crystal with a Dispersive Defect[J];Acta Optica Sinica;2003-11
2 Huang BiqinGu Peifu(State Key Laboratory for Modern Optical Instrumentation, Zhejiang University, Hangzhou 310027);Extension of One-Dimensional Photonic Crystal′s Band Gap[J];Acta Optica Sinica;2003-12
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