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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 studies of the dependence of EPR parameters on local structure for the tetragonal Er3+ centres in YVO4 and ScVO4 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 150, 页码: 829-836
作者:  Chai, Rui-Peng;  Hao, Dan-Hui;  Kuang, Xiao-Yu;  Liang, Liang;  scu_xykuang@163.com
收藏  |  浏览/下载：116/0  |  提交时间：2016/04/21
Epr Parameters  Local Lattice Structure  Covalent Bonding Effect  J-j Mixing Effect  
An optional explanation for nickel sites of nickel-zinc phosphate glasses by their optical spectra and EPR g factor 期刊论文
Journal of Magnetism and Magnetic Materials, 2011, 卷号: 323, 期号: 22, 页码: 2828-2830
作者:  W. L. Feng;  L. C. Pu;  X. Z. Yang;  N. Hu
Adobe PDF(122Kb)  |  收藏  |  浏览/下载：94/0  |  提交时间：2012/04/13
Electron Paramagnetic Resonance (Epr)  Ligand Field Theory  Local  Lattice Structure  Glasses  Spin-hamiltonian Parameters  Atomic Screening Constants  Scf Functions  Centers  Crystal  Ni++  
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：75/0  |  提交时间：2021/02/02
MF3:Fe3+ (M = Al, Ga) system  Local lattice structure distortion  EPR spectrum  Ligand-fields theory  
Spin-Hamiltonian parameters and local lattice structure for Pd(I) center in gamma-irradiated bis(acetylacetonato)palladium(II) 期刊论文
Crystal Research and Technology, 2010, 卷号: 45, 期号: 1, 页码: 75-78
作者:  W. L. Feng;  T. X. Zeng;  T. H. Chen;  J. J. Chen
Adobe PDF(200Kb)  |  收藏  |  浏览/下载：106/0  |  提交时间：2012/04/13
Crystal-field  Ligand-field  Spin-hamiltonian Parameters  Local Lattice  Structure  Pd(i) Ion  Atomic Screening Constants  Scf Functions  Crystal  Resonance  Ions  
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++  
EPR and optical spectra of Ni2+-VAg in silver chloride and silver bromide 期刊论文
Molecular Physics, 2009, 卷号: 107, 期号: 7, 页码: 621-627
作者:  H. Q. Wang;  X. Y. Kuang;  H. F. Li
Adobe PDF(195Kb)  |  收藏  |  浏览/下载：79/0  |  提交时间：2012/04/13
Local Lattice Structure  Complete Energy Matrices  Epr And Optical  Spectra  Laser-light Generation  Color Image-formation  Local Structures  Agcl  Centers  Agbr  Crystals  Coordination  Nickel  Field  
Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl(6))(4-) coordination complex in MCl:V(2+) (M=Na, K, Rb) systems 期刊论文
Chinese Physics B, 2009, 卷号: 18, 期号: 4, 页码: 1586-1593
作者:  L. Qi;  X. Y. Kuang;  R. P. Chai;  M. L. Duan;  C. X. Zhang
Adobe PDF(335Kb)  |  收藏  |  浏览/下载：84/0  |  提交时间：2012/04/13
Complete Energy Matrix  Epr Parameters  (Vcl(6))(4-) Coordination  Complex  Local Structure  Doped Alkali-halides  Lattice Structure  Ground-state  Epr-spectra  Crystals  Field  Ions  Mn2++  Temperature  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