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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
Authors:  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.
Favorite  |  View/Download:24/0  |  Submit date: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
Authors:  Chai, Rui-Peng;  Hao, Dan-Hui;  Kuang, Xiao-Yu;  Liang, Liang;  scu_xykuang@163.com
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Epr Parameters  Local Lattice Structure  Covalent Bonding Effect  J-j Mixing Effect  
XAFS and Dielectric Study for Pb(Fe1/2Nb1/2)O-3-PbTiO3 Crystals 期刊论文
Ferroelectrics, 2013, 卷号: 448, 期号: 1, 页码: 17-22
Authors:  J. Z. Xiao;  L. Xu;  J. A. Paixao;  M. M. R. Costa
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Local Structure  Multiferroics  Dielectric Behavior  
Spin-Hamiltonian parameters for the tetragonal Gd-M(3+)-F-i(-) centers in CaF2 and SrF2 crystals 期刊论文
Journal of Magnetic Resonance, 2013, 卷号: 227, 页码: 62-65
Authors:  W. Q. Yang;  Y. Zhang;  Y. Lin;  W. C. Zheng
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Electron Paramagnetic Resonance  Crystal And ligAnd-field Theory  Defect  Structure  Gd3++  Calcium Fluoride  Strontium Fluoride  Electron-paramagnetic-resonance  Superposition-model Analysis  Temperature-dependence  Optical Spectroscopy  Magnetic-resonance  Laser  Applications  Local-structure  Epr-spectra  Gd3++  Fluorites  
Theoretical investigation of optical and paramagnetic resonance spectra of NiF6 (4-) clusters with orthorhombic symmetry 期刊论文
Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 2013, 卷号: 115, 页码: 483-487
Authors:  W. Fanga;  C. S. Shao;  W. D. Cheng;  H. Y. Tang;  W. C. Zheng
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Absorption Spectra  Spin-hamiltonian Parameters  Local Structure  Ni2++  Spin-hamiltonian Parameters  Field Splitting Parameters  Nuclear  Magnetic Resonance  Crystal-field  Epr-spectra  Superposition-model  Local-structure  Energy-levels  Ni2++ Ions  Nif2  
Studies of electron paramagnetic resonance parameters and structure of Ni2+-vacancy center for rhombic LiCl:Ni2+ crystal 期刊论文
Journal of Magnetism and Magnetic Materials, 2013, 卷号: 329, 页码: 88-94
Authors:  W. Fang;  W. Y. Yang;  W. D. Cheng;  W. C. Zheng
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Electron Paramagnetic Resonance (Epr)  Charge Transfer Mechanism  Local  Structure  Clebsch-gordan Coefficient  Ni2++  Spin-hamiltonian Parameters  Theoretical Calculations  Cr3++ Ions  Licl  Mn2++  Transition  Spectra  Epr  Impurities  Absorption  
Investigation on the Local Structure of Nickel II-Doped Sodium Phosphate Glasses by Their Optical Spectra and Electron Spin Resonance g Factor 期刊论文
Spectroscopy Letters, 2013, 卷号: 46, 期号: 2, 页码: 87-90
Authors:  W. L. Feng
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Crystal And ligAnd Field  Esr g Factor  Local Structure  Na2o Center Dot  P2o5 Glasses  Optical Spectra  Atomic Screening Constants  Hamiltonian Parameters  Gyromagnetic Factor  Epr Parameters  Scf Functions  Ions  
Theoretical investigations of optical spectra and electron paramagnetic resonance spectra of LiCl:Ni2+ crystals 期刊论文
Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 2012, 卷号: 99, 页码: 342-346
Authors:  W. Fang;  H. Y. Tang;  W. D. Cheng;  W. C. Zheng
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Optical Spectra  Electron Paramagnetic Resonance (Epr)  Charge Transfer  Mechanism  Local Structure  Ni2++  Spin Resonance  Field Analysis  Ni2++ Ions  Transition  Licl  Absorption  Parameters  Complexes  Terms  Shift  
Local structure of NiAl compounds investigated by extended X-ray absorption fine-structure spectroscopy 期刊论文
Journal of Synchrotron Radiation, 2012, 卷号: 19, 页码: 503-507
Authors:  J. S. Tian;  G. M. Han;  H. Wei;  T. Jin;  M. S. Dargusch
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Nial Compounds  Exafs  Local Structure  Site Preference  Alpha-cr  Precipitation  Nickel-aluminum System  Site Preference  Mechanical-properties  Intermetallic Alloys  Ternary Additions  Fe  Co  Occupancies  Elements  Tensile  
A molecular dynamics study of the structural change differences between Au-225 and Au-369 clusters on MgO surfaces at low temperature 期刊论文
Chinese Physics B, 2012, 卷号: 21, 期号: 3
Authors:  L. Zhang;  S. Q. Wang;  N. X. Chen
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Interfaces  Nanostructures  Computer Modelling And Simulation  Molecular  Dynamics  Local-structure Changes  Mgo(001) Surface  Au  Adsorption  Cu  Nanoclusters  Dimers  Models  Ag