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Thermoelastic parameter alpha K-T of sodium chloride at high pressure and high temperature 期刊论文
Journal of Physics and Chemistry of Solids, 2012, 卷号: 73, 期号: 8, 页码: 992-998
作者:  X. W. Sun;  X. R. Chen;  J. Zhu;  Q. F. Chen;  L. C. Cai;  F. Q. Jing
收藏  |  浏览/下载:101/0  |  提交时间:2013/02/05
Inorganic Compounds  Ab Initio Calculations  High Pressure  Thermodynamic Properties  Molecular-dynamics Simulation  Density-functional Theory  Equation-of-state  Alkali-halides  Thermodynamic Properties  Elevated-temperatures  Thermal Expansivity  Bulk Modulus  Ionic Solids  Nacl  
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:86/0  |  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++  
First principles study of structural, electronic and optical properties of KCl crystal 期刊论文
Chemical Physics, 2006, 卷号: 330, 期号: 1-2, 页码: 40916
作者:  Z. J. Chen;  H. Y. Xiao;  X. T. Zu
收藏  |  浏览/下载:78/0  |  提交时间:2012/04/13
Kcl Crystal  Pseudopotential Approach  Phase Transition  Optical  Property  B1-b2 Phase-transition  Pressure-induced Metallization  Inversion Pair  Potentials  Alkali-halides  Ab-initio  Nacl  Energy  Mechanism  Spectra  State