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CPA descriptions of random Cu-Au alloys in comparison with SQS approach 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 128, 页码: 302-309
作者:  Tian, Li-Yun;  Ye, Li-Hua;  Hu, Qing-Miao;  Lu, Song;  Zhao, Jijun;  Vitos, Levente;  Tian, LY (reprint author), Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
收藏  |  浏览/下载：121/0  |  提交时间：2017/08/17
Local Lattice Distortion  Formation Enthalpy  Elastic Constant  Special Quasi-random Structure (Sqs)  Cu-au Alloys  
Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2+-doped Perovskite Fluorides 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 24, 期号: 2, 页码: 167-172
作者:  Cao, Xi-min;  Kuang, Xiao-yu;  Li, Cheng-gang;  Chai, Rui-peng
收藏  |  浏览/下载：98/0  |  提交时间：2021/02/02
Complete energy matrix  Double spin-orbit coupling parameter model  Local structure distortion  
Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2+-doped Perovskite Fluorides 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 24, 期号: 2, 页码: 167-172
作者:  Cao, Xi-min;  Kuang, Xiao-yu;  Li, Cheng-gang;  Chai, Rui-peng
收藏  |  浏览/下载：123/0  |  提交时间：2021/02/02
Complete energy matrix  Double spin-orbit coupling parameter model  Local structure distortion  
Optical and magnetic properties of transition-metal ions in tetrahedral and octahedral compounds 期刊论文
Science China-Physics Mechanics & Astronomy, 2011, 卷号: 54, 期号: 10, 页码: 1796-1800
作者:  H. F. Li;  H. Q. Wang;  X. Y. Kuang
Adobe PDF(472Kb)  |  收藏  |  浏览/下载：96/0  |  提交时间：2012/04/13
Epr And Optical Spectra  Complete Energy Matrix  Ligand-field Theory  Tetrahedral Coordination Complexes  Octahedral Complexes  Transition-metal Ions  Electron-paramagnetic-resonance  Trigonal Ligand-field  Structure  Distortion  Vanadium Centers  Local-structure  Znte Crystals  Mn2++ Ions  Spectra  Absorption  Epr  
Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni(2+)-doped Perovskite Fluorides 期刊论文
Chinese Journal of Chemical Physics, 2011, 卷号: 24, 期号: 2, 页码: 167-172
作者:  X. M. Cao;  X. Y. Kuang;  C. G. Li;  R. P. Chai
Adobe PDF(248Kb)  |  收藏  |  浏览/下载：87/0  |  提交时间：2012/04/13
Complete Energy Matrix  Double Spin-orbit Coupling Parameter Model  Local Structure Distortion  Electron-paramagnetic-resonance  Atomic Screening Constants  Scf  Functions  Ligand-field  Ni-2++ Ions  Kznf3  Rbcdf3  Ni2  Crystals  Clusters  
Theoretical studies of the optical and EPR spectra for Fe3+ ion in the MF3:Fe3+ (M = Al, Ga) systems 期刊论文
JOURNAL OF LUMINESCENCE, 2010, 卷号: 130, 期号: 3, 页码: 451-454
作者:  Li Ju-Fen;  Kuang Xiao-Yu;  Mao Ai-Jie
收藏  |  浏览/下载：76/0  |  提交时间：2021/02/02
MF3:Fe3+ (M = Al, Ga) system  Local lattice structure distortion  EPR spectrum  Ligand-fields theory  
Theoretical studies of the optical and EPR spectra for Fe(3+) ion in the MF(3):Fe(3+) (M = Al, Ga) systems 期刊论文
Journal of Luminescence, 2010, 卷号: 130, 期号: 3, 页码: 451-454
作者:  J. F. Li;  X. Y. Kuang;  A. J. Mao
Adobe PDF(154Kb)  |  收藏  |  浏览/下载：74/0  |  提交时间：2012/04/13
Mf(3):Fe(3+) (m = Al  Ga) System  Local Lattice Structure Distortion  Epr Spectrum  Ligand-fields Theory  Electron-paramagnetic-resonance  Fluoride Glasses  Field  Fe-3++  
Local molecular structure and thermal expansion coefficient for octahedral Fe3+ center in AlF3 : Fe3+ system 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2008, 卷号: 456, 期号: 1-2, 页码: 10-15
作者:  Li, Ju-Fen;  Kuang, Xiao-Yu;  Mao, Ai-Jie;  Wang, Hui
收藏  |  浏览/下载：79/0  |  提交时间：2021/02/02
AlF3 : Fe3+ system  local lattice structure distortion  EPR spectrum  ligand-fields theory  thermal expansion coefficient  
Local molecular structure and thermal expansion coefficient for octahedral Fe(3+) center in AlF(3): Fe(3+) system 期刊论文
Journal of Alloys and Compounds, 2008, 卷号: 456, 期号: 1-2, 页码: 41197
作者:  J. F. Li;  X. Y. Kuang;  A. Mao;  H. Wang
Adobe PDF(186Kb)  |  收藏  |  浏览/下载：100/0  |  提交时间：2012/04/13
Alf(3): Fe(3+) System  Local Lattice Structure Distortion  Epr Spectrum  Ligand-fields Theory  Thermal Expansion Coefficient  Electron-paramagnetic-resonance  Metal Fluoride Glasses  Spin  Transition  Phase-transition  Epr  Temperature  Compound  Spectra  Field  Ions  
Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied 期刊论文
Molecular Physics, 2008, 卷号: 106, 期号: 15, 页码: 1879-1885
作者:  H. F. Li;  X. Y. Kuang;  H. Q. Wang
Adobe PDF(183Kb)  |  收藏  |  浏览/下载：73/0  |  提交时间：2012/04/13
Three Models  Epr And Optical Spectra  Local Lattice Structure  Distortion  Al(2)o(3):v(3+) System  Vanadium Corundum  Optical Spectra  Energy-levels  Fe3++ Ions  Field  Al2o3  Fe-3++  Cr3++  Spin