Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Journal of Yili Normal University(Natural Science Edition)》 2013-02
Add to Favorite Get Latest Update

Energy Band Calculations of Ba and Gd Codoped SrTiO_3

ZHANG Li-ying 1,ZHANG Li-li 1,2,CAO Qing-qi 1,2*(1.Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University,Yining,Xinjiang 835000,China;2.Department of Physics and National Lab of Solid State Microstructures,Nanjing University,Nanjing,Jiangsu 210093,China)  
In this paper,we study the geometric structure,energy band,density of electronic states of the SrTiO3(STO),Ba-doped and Ba-Gd-codoped STO by using the first principles density functional theory,and analyze the calculation result.The results show that the band gaps of the STO,Ba-doped and Ba-Gd-codoped STO are 1.89ev,1.77ev,and 0.677ev.Compare to the STO,Ba single doped STO and the Ba-Gd-codoped STO crystals have more stable structure,narrower band gap,and exhibit conductivity.
【Fund】: 新疆凝聚态相变与微结构实验室开放课题经费资助(XJDX0912-2012-04);; 新疆维吾尔自治区普通高校重点学科经费资助(2012 伊犁师范学院凝聚态物理)
【CateGory Index】: O481.1
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
【References】
Chinese Journal Full-text Database 3 Hits
1 ZHANG Li-li;WANG Li-na;ZHAO Xing-yu;ZHANG Wen-lei;MA Mei;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;School of Physics,National Lab of Solid State Microstructures,Nanjing University;;Study on the Electronic Structure and Physical Properties of the Cubic BaTiO_3 Crystal by First-principle Method[J];伊犁师范学院学报(自然科学版);2014-04
2 ZHANG Wen-lei;MA Mei;JIANG Xiao-kang;ZHANG Hang;PENG Cai-yun;CAO Qing-qi;ZHANG Li-li;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;School of Physics,National Lab of Solid State Microstructures,Nanjing University;;Study of the Influence of Electronic Structure and Optical Properties of BaZrO_3 Lattice Distortion Based on the First-principle[J];伊犁师范学院学报(自然科学版);2014-04
3 ZHANG Wen-lei;MA Mei;ZHANG Li-ying;ZHANG Li-li;CAO Qing-qi;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;School of Physics,National Lab of Solid State Microstructures,Nanjing University;;Effects of Ti Atomic Location on the Electronic Structure of Cubic SrTiO_3[J];伊犁师范学院学报(自然科学版);2014-02
【Citations】
Chinese Journal Full-text Database 4 Hits
1 LI Sheng-Zhi1,LIU Jin-Chao1,YANG Xiang-Dong1,JIANG De-Qiong2(1.Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,China; 2.Institute of Solid State Physics & School of Physics and Electronic Engineering, Sichuan Normal University,Chengdu 610068,China);First-Principles Study of Al,N Codoped p-Type ZnS[J];高压物理学报;2011-06
2 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);Study of material properties of Fe,S Co-doped SnO_2 by first principles[J];物理学报;2012-02
3 FANG Li-min(Department of Physics,Guangdong Education Institute,Guangzhou,Guangdong,510303,P.R.China);The Study of the First Principles of N-doped SrTiO_3[J];广东教育学院学报;2009-05
4 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
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 BAO Xiu-Li;LIN Lin;Institute of Condensed Matter Physics,Yangtze Normal University;College of Sciences,Inner Mongolia University of Technology;;Study of the cobalt concentration influence on Co-doped ZnO by first- principles calculation theory[J];原子与分子物理学报;2015-03
2 PENG Cai-yun;MA Mei;LI Hong-mei;ZHANG Hang;ZHANG Wen-lei;ZHANG Li-li;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;School of Physics,National Lab of Solid State Microstructures,Nanjing University;;Research of the First-principle of Electronic Structure of Bi Doped SrTiO_3[J];伊犁师范学院学报(自然科学版);2015-02
3 DING Cong;LI Yan;LU An_huai;Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University;;The electronic structures of Fe_ and Cd_doped sphalerite ZnS from first principles calculations[J];岩石矿物学杂志;2015-03
4 HE Zhong-Bing;LIU Shao-You;YANG Hong-Yun;MIN Zong-Yi;NIE Xin;College of Chemistry and Materials Engineering, Kaili University;College of Envirnomental Science and Engineering, Hunan University;School of Envirnomental Studies, Guangxi University;;Sulfur Doped Tin Oxide Nanoparticles: Solid State Synthesis and Performance for Visible-Light Driven Photocatalytic Degradation of Paraquat[J];无机化学学报;2015-04
5 WU Wei;SU Jia-yin;Department of Physics,Xi'an University of Arts and Science;;Electronic Structure and Optical Properties of Mg/Al Doped ZnO by Firse-principles Calculation[J];纳米科技;2015-01
6 ZHANG Wen-lei;MA Mei;JIANG Xiao-kang;ZHANG Hang;PENG Cai-yun;CAO Qing-qi;ZHANG Li-li;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;School of Physics,National Lab of Solid State Microstructures,Nanjing University;;Study of the Influence of Electronic Structure and Optical Properties of BaZrO_3 Lattice Distortion Based on the First-principle[J];伊犁师范学院学报(自然科学版);2014-04
7 YU Ze-min;WEI Shan-shan;CHU Xiao-chen;School of Material Science and Engineering,Harbin University of Science and Technology;;Study on the Electronic Structure of Fe-N Element Doped ZnO[J];哈尔滨理工大学学报;2014-04
8 ZHANG Wen-lei;MA Mei;ZHANG Li-ying;ZHANG Li-li;CAO Qing-qi;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;School of Physics,National Lab of Solid State Microstructures,Nanjing University;;Effects of Ti Atomic Location on the Electronic Structure of Cubic SrTiO_3[J];伊犁师范学院学报(自然科学版);2014-02
9 Guo Shao-Qiang;Hou Qing-Yu;Zhao Chun-Wang;Mao Fei;College of Science, Inner Mongolia University of Technology;;First principles study of the effect of high V doping on the optical band gap and absorption spectrum of ZnO[J];物理学报;2014-10
10 WEI Shan-shan;YU Ze-min;College of Material Science and Engineering, Harbin University of Science and Technology;;Study on the Electronic Structure of Ni Element Doped ZnO[J];化学与黏合;2014-03
【Co-references】
Chinese Journal Full-text Database 10 Hits
1 MA Mei;ZHANG Wen-lei;ZHANG Li-ying;ZHANG Li-li;CAO Qin-qi;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;School of Physics,National Lab of Solid State Microstructures,Nanjing University;;Research of the First-principle of Electronic Structure and Optical Properties of Ba(Ti_(1-x)Hf_x)O_3[J];伊犁师范学院学报(自然科学版);2014-02
2 ZHANG Li-ying;ZHANG Wen-lei;MA Mei;ZHANG Li-li;CAO Qing-qi;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;Department of Physics and National Lab of Solid State Microstructures,Nanjing University;;Calculation of different Rare-earth Doped BTO Energy Band Structure and Density of States[J];伊犁师范学院学报(自然科学版);2014-01
3 YANG Li-Juan;CUI Lei;ZHANG Zhao-Hui;WANG Fan;Department of basic courses,SuQian college;;First-principles study of the electronic structures,mechanical and optical properties of BaZr_(0.5)Ti_(0.5)O_3[J];原子与分子物理学报;2013-06
4 LI Han-jun;PAN Hong-liang;LI Teng;Department of Aircraft Ammunition,Air Force Logistics Academy;;Research of the first-principle of electronic structure and optical properties of Ba(Ti_(1-x)Sn_x)O_3[J];工矿自动化;2013-10
5 ZHANG Li-ying 1,ZHANG Li-li 1,2,CAO Qing-qi 1,2*(1.Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University,Yining,Xinjiang 835000,China;2.Department of Physics and National Lab of Solid State Microstructures,Nanjing University,Nanjing,Jiangsu 210093,China);Energy Band Calculations of Ba and Gd Codoped SrTiO_3[J];伊犁师范学院学报(自然科学版);2013-02
6 YANG Li-Juan1,GU Fang2,ZHANG Jia-Hong3,LIU Qing-Quan3,CUI Lei1,WANG Fan1(1.Department of basic courses,SuQian college,SuQian 223800,China; 2.College of Physics & Optoelectronic Engineering,Nanjing University of Information Science & Technology,Nanjing 210044,China; 3.Jiangsu Key Laboratory of Meteorological Observation and Information Processing, Nanjing University of Information Science & Technology,Nanjing 210044,China);First-principles study of the electronic structures and optical properties of Ba_(0.5)Ca_(0.5)ZrO_3[J];原子与分子物理学报;2013-02
7 YANG Li-juan,CUI Lei,ZHANG Zhao-hui(Department of Basic Courses,Suqian College,Suqian Jiangsu 223800,China);Study of the Electronic Structures and Optical Properties of BaZrO_3 and CaZrO_3[J];淮阴师范学院学报(自然科学版);2013-01
8 GAN Hai-xiu,LIU Ting-yu,CHENG Zhi-jun,YANG Chen-xing (College of Science,University of Shanghai for Science and Technology,Shanghai 200093,China);Study on the Physical Properties of the Perfect Cubic CaTiO_3 Crystal by Computer Simulation[J];人工晶体学报;2011-04
9 Fang Li-Min(Department of Physics,Guangdong University of Education,Guangzhou 510303,China);First principles study of interactions between Au and N atoms on SrTiO_3(001) surface[J];物理学报;2011-05
10 SONG Zhaotao1,ZHAO Hui1,2,CHEN Tianchi1,DENG Xiaobing1 1.College of Physics and Electronic Information,Tianjin Normal University,Tianjin 300387,China; 2.Department of Physics,Anshan Normal University,Anshan 114005,Liaoning Province,China;First-principles study on OⅡ vacancy in BaZrO_3[J];天津师范大学学报(自然科学版);2011-01
【Secondary References】
Chinese Journal Full-text Database 5 Hits
1 ZHANG Wen-lei;MA Mei;PENG Cai-yun;ZHANG Hang;CAO Qing-qi;ZHANG Li-li;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics, College of Physical Science and Technology, Yili Normal University;School of Physics, National Lab of Solid State Microstructures, Nanjing University;;Study of the Influence of Electronic Structure and Optical Properties of BaZrO_3 Lattice Distortion Based On the First-principle.[J];伊犁师范学院学报(自然科学版);2015-03
2 MA Mei;ZHANG Wen-lei;ZHANG Xiao-xu;ZHANG Hang;PENG Cai-yun;CAO Qin-qi;ZHANG Li-li;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics, College of Physical Science and Technology, Yili Normal University;School of Physics, National Lab of Solid State Microstructures,Nanjing University;;Research of the First-principle of Electronic Structure of 3C-SiC by the Bi Element Doped[J];伊犁师范学院学报(自然科学版);2015-03
3 ZHANG Hang;ZHANG Wen-lei;MA Lan;PENG Cai-yun;MA Mei;ZHANG Li-li;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;School of Physics,National Lab of Solid State Microstructures,Nanjing University;;First Principles Calculation of SrZrO_3 Doped with Rare Earth Elements of Electronic Structure and Optical Properties[J];伊犁师范学院学报(自然科学版);2015-02
4 PENG Cai-yun;MA Mei;LI Hong-mei;ZHANG Hang;ZHANG Wen-lei;ZHANG Li-li;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;School of Physics,National Lab of Solid State Microstructures,Nanjing University;;Research of the First-principle of Electronic Structure of Bi Doped SrTiO_3[J];伊犁师范学院学报(自然科学版);2015-02
5 MA Mei;ZHANG Wen-lei;JIANG Xiao-kang;ZHANG Hang;PENG Cai-yun;CAO Qing-qi;ZHANG Li-li;Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology,Yili Normal University;School of Physics,National Lab of Solid State Microstructures,Nanjing University;;Research of the First-principle of Electronic Structure,Mulliken Charge Population and Optical Properties of A_(0.25)Ba_(0.75)TiO_3[J];伊犁师范学院学报(自然科学版);2014-04
【Secondary Citations】
Chinese Journal Full-text Database 10 Hits
1 Jiang Lei Wang Pei-JiZhang Chang-Wen Feng Xian-Yang Lu Yao Zhang Guo-Lian (School of Physics, University of Jinan, Jinan 250022, China);Electronic structure and optical properties of Cr doped SnO_2 superlattice[J];物理学报;2011-09
2 YU Feng,WANG Pei-ji,ZHANG Chang-wen(School of Science,University of Jinan,Jinan 250022,China);First-Principle Study of Optical and Electronic Properties of SnO_2[J];济南大学学报(自然科学版);2009-04
3 Xu Xin-Fa Shao Xiao-Hong (College of Science,Beijing University of Chemical Technology,Beijing 100029,China);Calculation of the electronic structure of Y-doped SrTiO_3[J];物理学报;2009-03
4 Hu Zhi-Gang~1) Duan Man-Yi~ 1) Xu Ming~ 1)2) Zhou Xun~ 1)3) Chen Qing-Yun~ 1) Dong Cheng-Jun~ 1) Linghu Rong-Feng~ 3) 1)(Institute of Solid State Physics & School of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610068, China)2)(College of Electronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing 400065, China)3)(Department of Physical and Electronic Science, Guizhou Normal University,Guiyang 550001, China);Electronic structure and optical properties of ZnO doped with Fe and Ni[J];物理学报;2009-02
5 ZHENG Ji,LIU Zhi-yong,DOU Fu-qi,WANG Ji-hui(School of Material Science and Engineering Tian Jin University,Tian Jin,300072,China);Calculation and Study of Nano-doping SnO_2[J];电工材料;2008-04
6 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];物理学报;2008-10
7 WEI Fengyu,ZENG Hualing,SHI Bing,CUI Peng,PENG Shuchuan (School of Chemical Engineering,Hefei University of Technology,Hefei 230009,China);EFFECT OF SULPHUR AND IRON CO-DOPING ON PHOTOCATALYTIC ACTIVITY OF TITANIUM DIOXIDE[J];硅酸盐学报;2008-09
8 Zhao Hui-Fang Cao Quan-Xi Li Jian-Tao(School of Technical Physics,Xidian University,Xi'an 710071,China);First-principle study of N,Ga codoped p-type ZnO[J];物理学报;2008-09
9 Chen Kun~ 1) Fan Guang-Han~ 1) Zhang Yong~ 1) Ding Shao-Feng~ 1) (Institute of Optoelectronic Material and Technology,South China Normal University,Guangzhou 510631,China);First principles study of In-N codoped ZnO[J];物理学报;2008-05
10 LI Li1,CHANG Ren-Jie2,FANG Liang 3,CHEN Xi-Ming1,LIU Jun1(1.College of Mathematics and Physics,Chongqing University of Posts and Telecommunications,Chongqing 400065,China;2.Information Engineering Department,zhengzhou railway vocational&technical college, Zhengzhou,450052 China;3.Department of Applied Physics,Chongqing University,Chongqing 400044 China;Microstructure and thermoelectric properties of Al-doped ZnO thin films[J];真空;2008-02
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved