Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Journal of Yili Normal University(Natural Science Edition)》 2018-04
Add to Favorite Get Latest Update

First-principles Calculation of Electronic Structure Rare Earth Elements Y-doped ZnO with Different Concentrations

WANG Quan-wei;LIU Gui-an;CHEN Qiao-yue;ZHANG Li-li;College of Physical Science and Technology, Xinjiang Laboratory of Condensed Phase Change and Microstructure, Yili Normal University;National Key Laboratory of Solid Microstructure, School of Physics, Nanjing University;  
In this paper, the eigenstate ZnO is doped with different concentrations of Rare earth elements Y by first-principles density functional theory. The electrical structure of pure ZnO and Zn_(1-X)Y_XO(X=0.125, 0.25, 0.375)systems are calculated and analyzed. With the increase of doping Y concentration, the formation energy of Zn_(1-X)Y_XO systems decreases, which demonstrates the stability increases, and the degree of lattice distortion is greater. With the increase of Y doping concentration, the valence band and conduction band have moved down, the number of energy levels has increased. The impurity levels have appeared in Zn_(0.75)Y_(0.25)O system and Zn_(0.625)Y_(0.375)O systems. It is easier to trigger electron transition.
【Fund】: 伊犁师范学院校级项目(2016YSZD03)
【CateGory Index】: O614.241
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 5 Hits
1 YUAN Jun-Hui;GAO Bo;WANG Wen;WANG Jia-Fu;School of Science, Wuhan University of Technology;;First-Principles Calculations of the Electronic Structure and Optical Properties of Y-Cu Co-Doped ZnO[J];物理化学学报;2015-07
2 Li Hong-Lin 1) Zhang Zhong 1) Lu¨ Ying-Bo 2) Huang Jin-Zhao 1) Zhang Ying 1) Liu Ru-Xi 1) 1)(School of Physics and Technology,University of Jinan,Jinan 250022,China) 2)(School of Space Science and Physics,Shandong University at Weihai,Weihai 264209,China);First principles study on the electronic and optical properties of ZnO doped with rare earth[J];物理学报;2013-04
3 Bi Yan-Jun Guo Zhi-You Sun Hui-Qing Lin Zhu Dong Yu-Cheng(Institute of Optoelectronic Material and Technology,South China Normal University,Guangzhou 510631,China);The electronic structure and optical properties of Co and Mn codoped ZnO from first-principle study[J];物理学报;2008-12
4 Chen Kun Fan Guang-Han Zhang Yong(Institute of Optoelectronic Material and Technology, South China Normal University, Guangzhou 501631, China);First principles study of optical properties of wurtzite ZnO with Mn-doping[J];物理学报;2008-02
5 LI Xin-hua~(1,2),XU Jia-yue~1 (1.Shanghai Institute of Ceramics,Chinese Academy of Science,Shanghai 200050,China; 2.College of Graduate Student,Chinese Academy of Sciences,Beijing 100039,China);Technical progress on the growth of semiconductor ZnO crystals[J];功能材料;2005-05
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 ZHANG Wen-lei;MA Mei;ZHANG Hang;PENG Cai-yun;RONG Jing-jing;ZHANG Jin-lu;ZHANG Li-li;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics, College of Physical Science and Technology, Yili Normal University;Department of Scientific Research, Xinjiang Education Institute;School of Physics, National Lab of Solid State Microstructures, Nanjing University;;First-principle Calculation of Electronic Structure of N, Hf Sigle-doped and Co-doped ZnO[J];伊犁师范学院学报(自然科学版);2015-04
2 Shao Tingting;Zhang Fuchun;Cui Hongwei;College of Physics and Electronic Information, Yan′an University;;Density Functional Theory Study on the Electronic Structure and Optical Properties of La, Ce and Nd doped SnO_2[J];激光与光电子学进展;2015-09
3 YUAN Jun-Hui;GAO Bo;WANG Wen;WANG Jia-Fu;School of Science, Wuhan University of Technology;;First-Principles Calculations of the Electronic Structure and Optical Properties of Y-Cu Co-Doped ZnO[J];物理化学学报;2015-07
4 Zou Kai;Li Rongping;Liu Yongsheng;Feng Song;Tian Lei;School of Physical Science and Technology,Inner Mongolia University;Key Laboratory of Semiconductor Photovoltaic Technology at Universities of Inner Mongolia Autonomous Region;;PREPERATION AND PERFORMANCE STUDY OF Cd S THIN FILM DOPED BY RARE EARTH ELEMENT(Gd,Y)[J];太阳能学报;2015-06
5 ZOU Kai;LI Rong-ping;School of Physical Science and Technology,Inner Mongolia University;Key Laboratory of Semiconductor Photovoltaic Technology at Universities of Inner Mongolia Autonomous Region;;Structure and XPS Analysis of CdS / CdS and CdS / Dy / CdS Thin Films[J];稀土;2015-03
6 Zang Yuan;Cao Lin;Li Lianbi;Lin Tao;Yang Fei;Department of Electronic Engineering, Xi′an University of Technology;Department of New Electrical Materials & Microelectronics, State Grid Smart Grid Research Institute;;Theoretical Study of Electrical and Optical Properties of Ge-Doped 6H-SiC[J];激光与光电子学进展;2015-06
7 Wu Cheng-Guo;Wu Wen-Yuan;Gong Yan-Chun;Dai Bin-Fei;He Su-Hong;Huang Yan-Hua;College of Science, PLA University of Science and Technology;;First-principles study on the band-gap changes of Zn_2GeO_4 under high pressure[J];物理学报;2015-11
8 PENG Hui;WU Zhihong;ZHANG Jianlin;LU Jing;WU Chenxiao;LI Peiqiang;YIN Hongzong;College of Chemistry and Material Science, Shandong Agricultural University;Yellow River Delta Jingbo Research of Chemical Industry;;Progress in designing CO_2 photocatalyst based on energy band match theory[J];化工进展;2014-11
9 ZHANG Zhong-Zheng;ZHANG Chun-Hong;YAN Wan-Jun;ZHOU Shi-Yun;GUO Ben-Hua;College of Electronic and Information Engineering,Engineering Center of Avionics Electrical and Information Network,Anshun University;;First principle study on electronic structure and optical properties of CrSi_2 doped rare earth element La[J];原子与分子物理学报;2014-04
10 ZHU Liang-jun;CUI Yu-min;MIAO Hui;YIN Hu;TAO Dong-liang;College of Chemistry and Chemical Industry,Fuyang Normal College;Anhui Provincial Key Laboratory for Degradation and Monitoring of Pollution of the Environment;;Study on photocatalytic degradation of methyl orange with nano-ZnO as catalyst[J];应用化工;2014-08
【Secondary Citations】
Chinese Journal Full-text Database 10 Hits
1 He Jing-Fang;Zheng Shu-Kai;Zhou Peng-Li;Shi Ru-Qian;Yan Xiao-Bing;College of Electronic and Informational Engineering, Hebei University;;First-principles calculations on the electronic and optical properties of ZnO codoped with Cu-Co[J];物理学报;2014-04
2 Li Hong-Lin 1) Zhang Zhong 1) Lu¨ Ying-Bo 2) Huang Jin-Zhao 1) Zhang Ying 1) Liu Ru-Xi 1) 1)(School of Physics and Technology,University of Jinan,Jinan 250022,China) 2)(School of Space Science and Physics,Shandong University at Weihai,Weihai 264209,China);First principles study on the electronic and optical properties of ZnO doped with rare earth[J];物理学报;2013-04
3 ZHANG Fu-Chun~(1,*) ZHANG Wei-Hu~1 DONG Jun-Tang~1 ZHANG Zhi-Yong~2 (1 College of Physics & Electronic Information,Yan'an University,Yan'an 716000,Shannxi Province,P.R.China; 2 School of Information Science and Technology;Northwest University,Xi'an 710127,P.R.China);Electronic Structure and Magnetism of Ni-Doped ZnO Nanowires[J];物理化学学报;2011-10
4 CHENG Li 1 ZHANG Zi-Ying 1,2,3, SHAO Jian-Xin 1 ( 1 Key Laboratory of Ecophysics,Department of Physics,Normal College,Shihezi University,Shihezi 832003,The Xinjiang Uygur Autonomous Region,P.R.China; 2 Department of Materials Science,Fudan University,Shanghai 200433,P.R.China; 3 Key Laboratory of Phase Transitions and Microstructures of Condensed Matters in Xinjiang,Yining 835000, The Xinjiang Uygur Autonomous Region,P.R.China);Electronic Structures and Optical Properties of the O Vacancy in ZnO[J];物理化学学报;2011-04
5 YU Chang-Lin1 YANG Kai1 YU Jimmy C2 PENG Peng1 CAO Fang-Fang1 LI Xin1 ZHOU Xiao-Chun1(1School of Materials and Chemical Engineering,Jiangxi University of Science and Technology,Ganzhou 341000,Jiangxi Province,P.R.China;2Department of Chemistry,The Chinese University of Hong Kong,Hong Kong,P.R.China);Effects of Rare Earth Ce Doping on the Structure and Photocatalytic Performance of ZnO[J];物理化学学报;2011-02
6 Deng Bei Sun Hui-Qing Guo Zhi-You Gao Xiao-Qi(Institute of Opto-Electronic Materials and Technology,South China Normal University,Guangzhou 510631,China);Theoretical analysis on the improvement of p-type ZnO by B-N codoping[J];物理学报;2010-02
7 MA Shu-yi1,MAO Lei-ming1,MA hui2,SHI Xin-fu1,ZHOU Ting-ting1,DING Ji-jun1(1.College of Physics and Electronic Engineering,Northwest Normal University,Lanzhou 730070,Gansu,China;2.Department of Physics and Electronic Technology,Chaohu University,Chaohu 238000,Anhui,China);Study of structure and optical properties of Cu-doped ZnO nanofilms prepared by RF magnetron sputtering[J];西北师范大学学报(自然科学版);2010-01
8 Guan Li Li Qiang Zhao Qing-Xun Guo Jian-Xin Zhou YangJin Li-Tao Geng Bo Liu Bao-Ting(College of Physics Science and Technology,Hebei University,Baoding 071002,China);First-principles study of the optical properties of ZnO doped with Al,Ni[J];物理学报;2009-08
9 Hou Qing-Yu Zhang Yue Chen Yue Shang Jia-Xiang Gu Jing-Hua (School of Material Science & Engineering ,Beihang University,Beijing 100083,China);Effects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by frist principles calculations[J];物理学报;2008-01
10 Zhang Jin-Kui Deng Sheng-Hua Jin Hui Liu Yue-Lin(School of Science, Beijing University of Aeronautics and Astronautics, Beijing 100083, China);First-principle study on the electronic structure and p-type conductivity of ZnO[J];物理学报;2007-09
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved