Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Laser & Optoelectronics Progress》 2015-09
Add to Favorite Get Latest Update

Density Functional Theory Study on the Electronic Structure and Optical Properties of La, Ce and Nd doped SnO_2

Shao Tingting;Zhang Fuchun;Cui Hongwei;College of Physics and Electronic Information, Yan′an University;  
The lattice parameters, band structures, density of states, electron density differences and optical properties of La, Ce, Nd doped SnO2 are studied by density functional theory(DFT). The computational results show that the bond length near La are greatest changed, while the change near Nd are least, which indicates the lattice distortion caused by rare earth doped in SnO2 is related to the covalent radius of doping atom. The band structure shows that rare earth doping can make the band gap of SnO2 narrow. The La doping makes the band gap reduced0.892 e V comparing that of intrinsic SnO2, and Nd doping induces three energy levels in the forbidden band. The electron density difference shows that rare earth doping makes the electron redistribution of SnO2 and the iconicity enhance, especially the existence of f electrons. La atom loses electrons most and Nd atom loses least, which are consistent with the calculated results of band gaps. The calculated results of optical properties show that the imaginary part of the dielectric function and absorption function have a red shift, which agrees well with the calculated results of energy band gap.
【Fund】: 陕西省自然科学基础研究计划(2014JM2-5058);; 陕西省教育厅科学研究计划(2013JK0917);; 延安市科学技术研究发展计划(2013KG-03 2014KG-02)
【CateGory Index】: O614.432
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
【Citations】
Chinese Journal Full-text Database 10 Hits
1 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
2 GUO Yu-Zhong, WANG Jian-Hua, HUANG Rui-An, WANG Gui-Qing (Novel Materials Preparation & Processing Provincial Laboratory, Kunming University of Science & Tech-nology, Kunming 650093, China);Electrical and Optical Properties of Transparent and Conductive Sb-Doped SnO_2 Films[J];Journal of Inorganic Materials;2002-01
3 Du Juan Ji Zhen-Guo (College of Electronic Information,Hangzhou Dianzi University,Hangzhou 310018,China)(State Key Laboratory for Silicon Materials,Zhejiang University,Hangzhou 310027,China);The effect of Ⅲ-family element doping on electronic structures and electrical characteristics of SnO_2[J];Acta Physica Sinica;2007-04
4 Duan Man-Yi Xu Ming Zhou Hai-Ping Chen Qing-Yun Hu Zhi-Gang Dong Cheng-Jun(Laboratory for Low-dimensional Structure Physics,Institute of Solid State Physics & School of Physics and Electronic Engineering,Sichuan Normal University,Chengdu 610068,China);Electronic structure and optical properties of ZnO doped with carbon[J];Acta Physica Sinica;2008-10
5 Yu Feng Wang Pei-Ji Zhang Chang-Wen(School of Science,University of Jinan,Jinan 250022,China);First-principles study of optical and electronic properties of N-doped SnO_2[J];Acta Physica Sinica;2010-10
6 Yu Feng Wang Pei-Ji Zhang Chang-Wen (School of Science,University of Jinan,Jinan 250022,China);Electronic structure and optical properties of Al-doped SnO_2[J];Acta Physica Sinica;2011-02
7 Lu Yao Wang Pei-Ji Zhang Chang-Wen Feng Xian-Yang Jiang Lei Zhang Guo-Lian (School of Physics,University of Jinan,Jinan 250022,China);First-principles calculation on electronic structure and optical properties of iron-doped SnO_2[J];Acta Physica Sinica;2011-11
8 Liu Wensheng~*,Huang Wende,Yun Yuehou,Wang Ligang (Department of Physics,College of Science and Technology,Inner Mongolia University,Hohhot 010021,China);Effect of Doping CeO_2 on Properties of SnO_2 Electrothermal Film[J];Journal of The Chinese Rare Earth Society;2005-S2
9 Li Shanping,Hu Zhen,Cao Hanlin(School of Environmental Science and Engineering,Shandong University,Jinan 250100,China);Preparation and Characterization of Neodymium Doped Ti-Based SnO_2/Sb Electro-Catalytic Electrodes[J];Journal of the Chinese Rare Earth Society;2008-03
10 Zhu Fuliang,Huang Xiuyang,Yu Xibo,Zhang Xia(Materials Science and Engineering College,Lanzhou University of Technology,Lanzhou 730050,China);Effects of Calcining Temperature on Properties of Europium Doped Ti/SnO_2-Sb Electrode[J];Journal of the Chinese Rare Earth Society;2010-06
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 LEI Jie-hong1,XING Pi-feng1,TANG Yong-jian1,ZHOU Xu-dong2,WU Wei-dong1,YANG Yao2(1.Research Center of Laser Fusion of CAEP,Mianyang 621900,CHN;2.Chongqing Optoelectronics Research Institute,Chongqing 40060,CHN);Simulation of Electronic Structure and Optical Properties of LiH Crystal[J];Semiconductor Optoelectronics;2009-06
2 YANG Jian-guang,TANG Mo-tang,TANG Chao-bo,YANG Sheng-hai,ZHANG Bao-ping(School of Metallurgical Science and Technology,Central South University,Changsha 410083,China);Conducting mechanism and theory conductivity of antimony doped tin oxide[J];Micronanoelectronic Technology;2004-04
3 Zheng Yongping1,Chen Zhigao1,Lu Yu1,Wu Qingyun1,Weng Zhenzhen2,and Huang Zhigao1,2,(1 Department of Physics,Fujian Normal University,Fuzhou 350007,China)(2 Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou 350002,China);Influence of Be-Doping on Electronic Structure and Optical Properties of ZnO[J];Journal of Semiconductors;2008-12
4 Mao Yuhui 1,Zhang Shengli2,Luo Wenhai3,Li Yuling4(1.School of civil Engineering,Jiaying University,Meizhou 514015;2.Jinyuan Refractory Materials Co.,Ltd,Jing County,Hebei Province,053500;3.Jinan University,Jinan 250022;4.Qinhuangdao glass industry research and design institute,Qinhuangdao,066004);Study on Fabrication and Performance of Sb-doped Sno2 Reflection-enhancing Coating[J];Glass;2012-04
5 LI Chao-lin,QIU Ju(1.Dept of Elct,Huai'an Information Vocational and Technical College,Huai'an 223001,China;2.College of Suqian,Suqian 238000,China);Characterastic investigation of SnO_2-ZnO thin film[J];Journal of Transducer Technology;2005-10
6 MIAO Li~(1,2,3) XU Ruisong~(1,3) MA Yueliang~1 (1 Guangzhou Institute of Geochemistry,Chinese Academy of Sciences,Guangzhou 510640; 2 Graduate School,Chinese Academy of Sciences,Beijing 100039; 3 Key Laboratory of Marginal Sea Geology,Guangzhou 510640);Preparation and Characterization of SnO_2:F Transparent Conductive Thin Film[J];Materials Review;2008-01
7 LI Gen,CHEN Jing-chao,HU Zhan,LIU Chao-feng,LI Zhi-cheng,ZHANG Hong(1.School of Materials Science and Engineering,Central South University,Changsha 410083,China;2.Key Laboratory of Non-ferrous Materials Science and Engineering,Ministry of Education,Central South University,Changsha 410083,China);Preparation and Electrical Characteristic of Sb-doped SnO_2 Based NTC Thermistors[J];Journal of Materials Science and Engineering;2012-02
8 Fang Zhanqiang1,Yang Mei1,Nan Junmin1,Li Weishan1,2 (1.South China Normal University,Guangzhou 510006,China) (2.Key Laboratory of Electrochemical Technology on Energy Storage and Power Generation in Guangdong Universities,Guangzhou 510006,China);Electrochemical Performance and Application of Ce Doped Ti/Sb-SnO_2 Electrodes[J];Rare Metal Materials and Engineering;2011-09
9 ZHANG Ling-yun1,WU Zhao-cheng2,JIA Ruo-kun1,YANG Yu-lin3(1.School of Chemical Engineering,Northeast Dianli University,Jilin 132012,China; 2.China Petrochemical Co.Ltd.Jilin Branch,Jilin 132012,China; 3.College of Chemical Technology,Harbin Institute of Technology,Harbin 150001,China.);Preparation and photoelectricity performance of carbon doped ZnO[J];Journal of Northeast Normal University(Natural Science Edition);2012-01
10 YAO Ying-wu,WANG Yu-hua,TANG Bao-hua,DUAN Zhong-yu,WANG Chao Electrochemical Surface Technology Research Laboratory,School of Chemical Engineering and Technology,Hebei University of Technology,Tianjin 300130,China;Research progress of titanium-based tin-antimony oxide-coated electrodes[J];Electroplating & Finishing;2011-10
China Proceedings of conference Full-text Database 4 Hits
1 HAO Rui-ying, LEI Zhi, ZHENG Jia-gui, FENG Liang-huan, CAI Wei, WU Li-li, ZHANG Jing-quan (Department of Materials Science and Engineering, Sichuan University, Chengdu 610064, China);High resistivity SnO_2 films prepared with H_2O_2 being joined into the solution[A];[C];2004
2 WANG Xiao-Ian, LI Li-li, DUAN Xue-chen (School of Materials Science and Engineering, Central South University, Changsha 410083, China);Effects of Sb-doped on grain-size and resistivity of SnO_2 nanometer powder[A];[C];2004
3 JIAO Li-miao;CUI Li-hua;LI Yang;YAO Ying-wu;Electrochemical Surface Technology Research Laboratory,School of Chemical Engineering and Technology,Hebei University of Technology;;The Application of the Pollutants Degradation with Tin Antimony Electrode[A];[C];2014
4 Pan Zhi-feng 1,Li Yun-tao 1,Yuan Yi-fang 2 (1 College of Physical engineering,Zhengzhou University,Henan,Zhengzhou 450000 ;2 College of optics and electronics engineering,University of Shanghai for Science and Technology,Shanghai 200093);Optics Characteristic Research of ZnO Nanowire Arrays Preparedby Porous Anodic Aluminum Oxide Template[A];[C];2010
【Secondary Citations】
Chinese Journal Full-text Database 10 Hits
1 XUE Yan-bing(School of Electrical and Information Engineering,Dalian Jiaotong University,Dalian 116028,China);Property Calculation of SnO_2(110) Crystal Plane by Density Function[J];Journal of Dalian Jiaotong University;2008-04
2 YU Chao,ZHANG Xin-zheng,XU Jun,YU Da-peng(School of Physics,Electron Microscopy Laboratory,Peking University,Beijing 100871,China);Synthesis,characterization and growth mechanism of Cu-doped ZnO nanohorns[J];Journal of Chinese Electron Microscopy Society;2008-01
3 ZHOU Chang-jie, KANG Jun-yong (Department of Physics and Semiconductor Photonics Research Center, Xiamen University, Xiamen 361005, China);Effects of Site-selective Ga-N Codoping on p-type Doping Efficiency of Wurtzite ZnO[J];Chinese Journal of Luminescence;2006-06
4 WANG Jing~1,2 ,FENG Yu-jie2, LIU Zheng-qian2 (1. School of Resources and Environmental Engineering, Heilongjiang College of Science and Technology,Harbin 150027,China; 2. School of Municipal and Environmental Engineering,Harbin Institute of Technology,Harbin 150001,China);Study of the influences of Gd doping on the characteristics of SnO_2 catalytic electrodes[J];Journal of Functional Materials;2005-06
5 JIN Ren-cheng1,WENG Xue-jun2,WANG Li-ding1,ZHANG WU-jin2(1.Research Center for MST,Dalian University of Technology,Dalian 116024,China;2.Key Laboratory for Precision and Non-traditional Machining Technology of Ministry Education,Dalian 116024,China);Theoretically studying the electrical structure of SnO_2(110) surface with first principle DFT theory[J];Journal of Functional Materials and Devices;2008-01
6 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
7 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
8 He Hongbo Fan Zhengxiu (Shanghai Institute of Optics and Fine Mechanics, The Chinese Academy of Sciences, Shanghai 201800) (Received 20 April 1998; revised 25 May 1998);The Influence of Dopant Ag to Optical Properties of ZnO Gas Sensing Thin Films[J];ACTA OPTICA SINICA;1998-12
9 Guo Yuzhong 1, Huang Ruian 1, Sun Jialin 2 (1. College of materials Science & Metallurgy Engineering, Kunming University of Science and Technology, Kunming, Yunnan 650093; 2. Kunming Precious Matal Institute, Kunming 650221);EXPERIMENTAL STUDY ON HYDROLYSIS AND CONDENSATION OF SnO_2 Sol SYSTEMS[J];Journal of The Chinese Ceramic Society;2001-02
10 DENG Zhou-hu, YAN Jun-feng, ZHANG Fu-chun WANG Xue-wen ,XU Jian-ping,Zhang Zhi-yong (School of In formation Science and Technology, Northwest University, Xi'an 710069, China) (College of Physics & Electronic In formation ,Yan'an University, Yan'an Shaanxi 716000, China) (The Military Representaion Office in 771 Insitute, Xi'an 710054, China);First-principle Calculation of Effects of Sb Doping on Electrical Conductivity of SnO_2 Transparent Film[J];Acta Photonica Sinica;2007-S1
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved