Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Acta Physica Sinica》 2006-06
Add to Favorite Get Latest Update

First-principles calculations of electronic structure and magnetism of Gd_2Co_2Al

Zhang Jia_Hong~ 1) Liu Su~ 1) Gu Fang~ 2) Yang Li_Juan~ 1) Liu Mei~ 1) 1)(Department of Physics, Southeast University, Nanjing 210096, China)2)(Department of Physics, Nanjing University of Science and Technology, Nangjing 210094,China)  
We investigate the electronic and magnetic properties of the new compound Gd_2Co_2Al by using a self_consistent full_potential linearized augmented plane_wave method within the local spin_density approximation (LSDA) and the LSDA+U approximation to the exchange_correlation potential of the spin_density functional theory. We have also discussed the reason of system to have low Curie temperature, and made use of the average field theory to calculate the Curie temperature in combination with the results of density functional calculation. Our calculation shows that this system is a metallic conductor. The local Gd magnetic moment provides predominately the strong ferromagnetism and the Co_site local moment is unstable. Gd_2Co_2Al is shown to be a ferrimagnetic phase due to the moment of Gd sublattice being aligned antiparallelly to the Co moment in the LSDA. After considering the on_site Coulomb interaction by an additional Hubbard parameter U, it is found that the ground state becomes ferromagnetic at a moderate value of U (3.0eV), with a Co ion magnetic moment of 0.024μ_B, which is in good agreement with experiment. The moment of Co changes much and the density of states of Gd and Co are significantly redistributed with the change of U, while the magnetic moment of Gd does not change much. The competition of 5d_3d hybridization and the on_site Coulomb interaction leads to the fluctuation of the moment of Co.
【Fund】: 国家自然科学基金(批准号:10274008);; 江苏省自然科学基金(批准号:BK2002050)资助的课题~~
【CateGory Index】: O481
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 2 Hits
1 ZHANG Jia-hong1,LIU Mei1,GU Fang2,TANG Chun-mei2(1.Department of Physics,Southeast University,Nanjing 210096,China;2.School of Sciences,NUST,Nanjing 210094,China);First-principles of Electronic Structure and Optical Properties of MgCNi_3[J];Journal of Nanjing University of Science and Technology(Natural Science);2007-02
2 Ding Shao-Feng 1) Fan Guang-Han 1) Li Shu-Ti 1)Xiao Bing 2)1)(Institute of Opto-Electronic Materials and Technology,South China Normal University,Guangzhou 510631,China)2)(School of Materials Science and Engineering,Xi'an Jiaotong University,Xi'an 710049,China);First-principles study of the p-type doped InN[J];Acta Physica Sinica;2007-07
【Citations】
Chinese Journal Full-text Database 3 Hits
1 TANG CHENG\|CHUN WU GUANG HENG\ LI YANG XIAN\ ZHAN WEN SHAN (State Key Laboratory of Magnetism, Institute of Physics, Chinese Academy of Sciences,Beijing\ 100080,China);ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF Ce_(1-x)Y_xFe_2 COMPOUNDS[J];Acta Physica Sinica;2001-01
2 Zheng Xiao_Ping Zhang Pei_Feng Fan Duo_Wang 2) Li Fa_Shen Cheng Zhao_Hua Shen Bao_Gen 1)(Lanzhou Teachers College,Lanzhou 730070,China) 2)(Key Laboratory of Opto_Electronic Technology and Intellig ent Control, Ministry of Education, Lanzhou Jiaotong University, Lanzhou 730070, China) 3)(Key Laboratory for Magnetism and Magnetic Materials, Ministry of Ed ucation, Lanzhou University, Lanzhou 730000,China) 4)(State Key Laboratory of Magnetism, Institute of Physics, Chinese Ac ademy of Sciences, Beijing 100080,China);Spin reorientation and Msbauer effect studies on Tb_(0.3)Dy_(0.7)(Fe_( 1-x)Al_x)_(1.95) alloys[J];Acta Physica Sinica;2005-02
3 Zhang Chang-Wen Li Hua Dong Jian-Min Wang Yong-Juan Pan Feng-Chun (School of Physics and Microelectronics,Shandong University, Jinan 250100, China) Guo Yong-Quan Li Wei (Institute of Functional Materials, Central Iron and Steel Research Institute, Beijing 100081, China);Studies on the electronic structures, exchange coupling and magnetic moments of spin and orbital in the compound SmCo_5[J];Acta Physica Sinica;2005-04
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 WANG Lijuan~1,LIU Zheng~ 1,2 (1 The Department of Material and Chemical Engineering,Guilin Institute of Technology,Guilin 541004; 2 The Chemistry School of Xiangtan University,Xiangtan 411105);Preparation and Applied Development of Magnetic Polymer Microspheres in Analytical Chemistry[J];Materials Review;2006-06
2 Yu Wenguang Zhang Tonglai Zhang Jianguo Guo Jinyu Wu Ruifeng(State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology,Beijing 100081,China);The Preparation Methods of Magnetite Nanoparticles and Their Morphology[J];Progress in Chemistry;2007-06
3 Zheng Xiao-Ping~ 1)2) Zhang Pei-Feng~ 1)3) Fan Duo-Wang~ 1) Li Fa-Shen~ 3) Hao Yuan~ 4) 1) (Key Laboratory of Opto-Electronic Technology and Intelligent Control, Ministry of Education, Lanzhou Jiaotong University, Lanzhou\ 730070,China) 2) (Institute of Electronic Information Science and Technology, Lanzhou Teachers College, Lanzhou\ 730070, China) 3) (Schoot of Mathematics and Statistics, Lanzhou University, Lanzhou\ 730000,China)4) (State Key Lab.of Advanced Non_Ferrous Materials,Gansu Province,Lanzhou University of Technology,Lanzhou\ 730050,China);Structure, spin reorientation and Mssbauer spectra of Tb_(0·3)Dy_(0·7)(Fe_(0·9)T_(0·1))_(1·95) alloys[J];Acta Physica Sinica;2006-02
4 Yang Xue-Wen~ Zheng Jia-Gui Zhang Jing-Quan Feng Liang-Huan Cai Wei Cai Ya-Ping Li Wei Li Bing Lei Zhi Wu Li-Li(Collage of the Material Science & Engineering, Sichuan University, Chengdu 610064, China);Characteristics of CdTe solar cell device[J];Acta Physica Sinica;2006-05
5 Zeng Guang-Gen Zheng Jia-Gui Li Bing Lei Zhi Wu Li-Li Cai Ya-PingLi Wei Zhang Jing-Quan Cai Wei Feng Liang-Huan(College of Materials Science and Engineering,Sichuan University,Chengdu 610064,China);Polycrystalline CdS/CdTe thin-film Solar cells with intrinsic SnO_2 films of high resistance[J];Acta Physica Sinica;2006-09
6 Hou Juan Zheng Yu-Feng~ Dong You-Zhong Kuang Dai-Hong Sun Yan-Fei Li Qiang(School of Physics and Technology, Xinjiang University, Urumqi 830046, China);Investigation on the crystal structure, optical and electrical properties of Er~(3+) implanted CdTe thin film[J];Acta Physica Sinica;2006-12
7 Zheng Xiao-Ping~ 1)2)4) Zhang Pei-Feng~ 2)3) Fan Duo-Wang~ 2) Li Fa-Shen~ 3) Hao Yuan~ 4) 1)(Institute of Electronic Information Science and Technology, Lanzhou City University, Lanzhou 730070,China) 2)(Key Laboratory of Opto_Electronic Technology and Intelligent Control, Ministry of Education, Lanzhou Jiaotong University, Lanzhou 730070, China)3)(Key Laboratory for Magnetism and Magnetic Materials, Ministry of Education, Lanzhou University, Lanzhou 730000,China)4)(State Key Laboratory of Advanced Non_Ferrous Materials of Gansu Province, Lanzhou University of Technology, Lanzhou 730050,China);Magetostriction,spin reorientation and Mssbauer effect studies of Tb_(0.3)Dy_(0.7-x)Pr_x(Fe_(0.9)Al_(0.1))_(1.95) alloys[J];Acta Physica Sinica;2007-01
8 Zhu Li~ 1) Yang Wen-Ge~ 2) Xu Ling-Ling~ 3) Chen Ding-An~ 1) Wang Wen~ 2) Cui Yi-Ping~ 1) 1)(Advanced Photonics Center, Southeast University, Nanjing 210096, China)2)(College of Pharmacy and Life Science, Nanjing University of Technology, Nanjing 210009, China)3)(College of Materials Science and Engineering, Nanjing University of Technology, Nanjing 210009, China);Mechanism and characteristics of the new organic nonlinear optical material urea L-malic acid film[J];Acta Physica Sinica;2007-01
9 Song Hui-Jin 1) Zheng Jia-Gui 1)Feng Liang-Huan 1)Cai Wei 1)Cai Ya-Ping 1)Zhang Jing-Quan 1)Li Wei 1)Li Bing 1)Wu Li-Li 1)Lei Zhi 1)Yan Qiang 2)1)(Collage of the Material Science & Engineering,Sichuan University,Chengdu 610064,China)2)(Collage of the Material Science & Engineering Shanxi Science and Technology University,Xianyang 712081,China);Performance of CdTe solar cells with different back electrodes and back contact layers[J];Acta Physica Sinica;2007-03
10 Guo Qun-Chao Geng Xin-Hua Sun Jian Wei Chang-Chun Han Xiao-Yan Zhang Xiao-Dan, Zhao Ying(Key Laboratory of Optoelectronic Information Science and Technology, Ministry of Education, Key Laboratory of Photoelectronics Thin Film Devices and Technique of Tianjin, Institute of Photoelectronics Thin Film Devices and Technique of Nankai University, Tianjin 300071, China);Role of gas residence time in the deposition rate and properties of microcrystalline silicon films[J];Acta Physica Sinica;2007-05
【Co-references】
Chinese Journal Full-text Database 10 Hits
1 XIANG Yong, XIE Dao hua College of Electronics Information Engineering, Tianjin University, Tianjin 300072, China;The Development of Spinel Structure Functional Materials[J];Journal of Magnetic Materials and Deuices;2001-03
2 PENG Zhong-dong, HU Guo-rong, XIAO Jin, LIU Ye-xiang(Department of Metallurgy, Central South University , Changsha Hunan 410083, China);Influence on performance and structure of spinel LiMn_2O_4 for lithium-ion batteries bydoping rare-earth Eu[J];Chinese Journal of Power Sources;2004-05
3 JIANG Kai, YU Xinghai, YE Mingxin, HUANG Weishi, HUANG Jinggen (Department of Materials Science, Fudan University, Shanghai200433, China);Luminescence of Mn~(4+) Ions in Spinel Type and Perovskite-related Aluminates[J];Chinese Journal of Luminescence;2003-05
4 ZHANG Dong-jie~1, DU You-wei~2(1. Center of assay and test , Nanjing Normal University,Nanjing 210097, China;2 . National Laboratory of Solid State Microstructure,Nanjing University,Nanjing 210093,China);Giant positive magnetoresistance in magnetic multilayer[J];Journal of Functional Materials;2003-06
5 LIN Zhi-peng,LI Rong-hua,SHEN Chun-zhi,CHAO Hong-xia,WANG Wen-ji (Chemistry & Chemical Engineering School,Fuzhou University,Fuzhou 350007,China);Synthesis and performance of LiCo_xNi_xMn_(2-2x)O_(4-x)F_x(x=0.05,0.10) cathode materials[J];Journal of Functional Materials;2005-08
6 YAN Chong 1,3 YU Jun2 BAO Daxi ng3 CHEN Wenhong3 ZHU Dazhong1 ( 1 Department of Information Science & Electronic Engineering,Zhejian g University,Hangzhou,310027,CHN) ( 2 Department of Electronic Science & Technology,Huazhong University of Scien ce & Technology,Wuhan,430074,CHN) ( 3 Hengdian Group DMEGC Magnetics Co. ,LTD,Dongyang,Zhejiang,322118,CHN);Development in Spintronics[J];Research & Progress of Solid State Electronics;2005-01
7 JI Hong-bing,1 WANG Le-fu,1 MIZIGAKI Tomoo,2 EBITANI Kohki,2 KANEDA Kiyotomi2 (1. Chemical Engineering College, South China University of Technology, Guangzhou 510641, China; 2. Department of Chemical Science and Engineering, Graduate School of Engine;Nanoparticle Spinel Catalysts for Heterogeneous Oxidation from Allylic Alcohols to Corresponding Aldehydes and Ketones[J];Journal of Chemical Engineering of Chinese Universities;2002-02
8 Tan Mingqiu **,Tao Xiangming (Department of Physics, Zhejiang University, Hangzhou310027);Ab initio Electronic Structure Study for Heavy Fermion Spinel LiV_2O_4[J];Chinese Journal of Chemical Physics;2001-06
9 TANG, Hao FENG, Chuan-Qi LIU, Hao-Wen LEI, Tai-Ming ZHANG, Ke-Li  SUN, Ju-Tang (College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072);Synthesis and Electrochemical Properties of Yttrium-doped Lithium Manganese Spinel[J];Acta Chimica Sinica;2003-01
10 XING,Bo-Leia WU,Linga,b QIN,Gai-Pinga LI,Yia,b ZHANG,Yong-Fan,a,b LI,Jun-Qiana,b (a Department of Chemistry,Fuzhou University,Fuzhou 350002) (b State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou 350002);First Principles Study on the Electronic Properties of Rare-Earth Orthoferrites with a Perovskite-Type Structure[J];Acta Chimica Sinica;2007-17
【Secondary References】
Chinese Journal Full-text Database 9 Hits
1 DING Zenghui,XIONG Yuying,ZHANG Labao,XIONG Jianwen,HOU Xianhua(School of Physics and Telecommunication Engineering,South China Normal University,Guangzhou 510006);Study on Vacancy Znic Oxide with the First Principle Plane-wave Pseudopotential[J];Materials Review;2009-18
2 LUO Dafeng1,TAN Zhizhong1,YANG Jianhua1,DING Zenhui2(1.School of Science in Nantong University,Jiang Su,Nantong 226001;2.School of Physics and Telecommunication Engineering,South China Normal University,Guangzhou 510006);The Study of Native Defects ZnO Using First Principle Plane-wave Pseudopotential[J];Journal of Changchun University of Science and Technology(Natural Science Edition);2009-04
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 DONG Cheng-jun,CHEN Qing-yun,XU Ming,ZHOU Hai-ping,DUAN Man-yi,HU Zhi-gang(Institute of Solid State Physics & College of Physics and Electronic Engineering,Sichuan Normal University,Chengdu 610066,Sichuan);First-principles Calculation of the Electronic Structure and Optical Properties of Si-doped InN[J];Journal of Sichuan Normal University(Natural Science);2009-06
5 Song Qing-Gong 1)2) Jiang En-Yong 1) 1)(Key Laboratory of Low Dimensional Materials Physics and Preparing Technology of Tianjin,Institute of Advanced Materials Physics,Faculty of Science,Tianjin University,Tianjin 300072,China)2)(Department of Materials Physics,College of Science,Civil Aviation University of China,Tianjin 300300,China);Study on the structural and energetic properties of two-dimensional ground state of Ag~+ ion-vacancy in fast ionic conductor Ag_xTiS_2[J];Acta Physica Sinica;2008-03
6 Song Qing-Gong~ 1)2) Jiang En-Yong~ 1) Kang Jian-Hai~ 2) 1)(Key Laboratory of Low Dimensional Materials Physics and Preparing Technology of Tianjin,Institute of Advanced Materials Physics,Faculty of Science,Tianjin University,Tianjin 300072,China)2)(College of Science,Civil Aviation University of China,Tianjin 300300,China);Staging effects on the structural and energetic properties of fast ionic conductor Li_xTiS_2[J];Acta Physica Sinica;2008-05
7 Xing Hai-Ying~(1)) Fan Guang-Han~(1)) Zhao De-Gang~(2)) He Miao~(1)) Zhang Yong~(1)) Zhou Tian-Ming~(1))1)(Institute of Optoelectronic Material and Technology,South China Normal University,Guangzhou 501631,China)2)(State Key Laboratory on Integrated Optoelectronics,Institute of Semiconductors,Chinese Academy of Sciences,Beijing100083,China);Electronic structure and optical properties of GaN with Mn-doping[J];Acta Physica Sinica;2008-10
8 Xing Hai-Ying 1) Fan Guang-Han 1)Zhang Yong 1) Zhao De-Gang 2) 1)(Institute of Optoelectronic Material and Technology,South China Normal University,Guangzhou 510631,China)2)(State Key Laboratory on Integrated Optoelectronics,Institute of Semiconductors,China Academy of Sciences,Beijing 100083,China);First principle study of Mg,Si and Mn co-doped GaN[J];Acta Physica Sinica;2009-01
9 Gao Xiao-Qi Guo Zhi-You Cao Dong-Xing Zhang Yu-Fei Sun Hui-Qing Deng Bei (Institute of Optoelectronic Material and Technology,South China Normal University,Guangzhou 510631,China);Study of the electronic structure and the properties of p-type doping in Cd:O codoped AlN[J];Acta Physica Sinica;2010-05
【Secondary Citations】
Chinese Journal Full-text Database 2 Hits
1 Zheng Xiaoping, Xue Desheng, Li Fashen (Key Laboratory for Magnetism and Magnetic Materials under the Ministry of Education, Lanzhou University, 730000, Lanzhou, China);Magnetostriction and Mossbauer Spectrum Study of the Intermetallic Compounds of Tb_(0.3)Dy_(0.7)(Fe_(1-x)Al_x)(1.95)[J];Journal of Lanzhou University;2001-04
2 Zheng Xiao\|Ping 1) Xue De\|Sheng 1) \ Li Fa\|Shen 1) \ Cheng Zhao\|Hua 2) \ Wu Guang\|Heng 2) \ Shen Bao\|Gen 2) 1) (Key Laboratory for Magnetism and Magnetic Material of Education Ministry of China, Lanzhou Universit;Magnetostriction, spin reorientation and Mssbauer study of Tb_(0.3)Dy_(0.7)(Fe_(1-x)Al_x)_(1.95) intermetallic compounds[J];Acta Physica Sinica;2002-04
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved