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Magnetism and phase transitions of iron under pressure 期刊论文
Journal of Physics-Condensed Matter, 2008, 卷号: 20, 期号: 42
作者:  Z. Y. Zeng;  C. E. Hu;  X. R. Chen;  L. C. Cai;  F. Q. Jing
Adobe PDF(686Kb)  |  收藏  |  浏览/下载：94/0  |  提交时间：2012/04/13
Generalized-gradient Approximation  Ab-initio  Pseudopotential  Calculations  Electronic-structure  Static Compression  Spin Transition  Surface Alloys  Lower Mantle  Earths Core  Plane-wave  
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：77/0  |  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  
Half-metallic ferromagnetic semiconductors of V- and Cr-doped CdTe studied from first-principles pseudopotential calculations 期刊论文
Physica B-Condensed Matter, 2005, 卷号: 366, 期号: 1-4, 页码: 62-66
作者:  K. L. Yao;  G. Y. Gao;  Z. L. Liu;  L. Zhu;  Y. L. Li
收藏  |  浏览/下载：66/0  |  提交时间：2012/04/14
Half-metallic  Diluted Magnetic Semiconductor  Ab Initio Pseudopotential  Calculations  Room-temperature  
First-principles calculations for structures and absorption optical spectra of sulfur cluster S(7) 期刊论文
Physica B-Condensed Matter, 2004, 卷号: 351, 期号: 1-2, 页码: 197-203
作者:  X. R. Chen;  Y. Cheng;  X. L. Zhou;  Y. L. Bai;  J. Zhu
收藏  |  浏览/下载：78/0  |  提交时间：2012/04/14
Pseudopotential Density-functional Theory  Langevin Molecular Dynamics  Annealing Technique  Sulfur Clusters  Langevin Molecular-dynamics  Ab-initio  Electronic-structure  Liquid  Sulfur  Ci Method  Silicon  Pseudopotentials  Cycloheptasulfur  Spectroscopy  
Time-dependent local density approximation calculations for absorption spectra of small sulfur clusters 期刊论文
Journal of Physics B-Atomic Molecular and Optical Physics, 2003, 卷号: 36, 期号: 22, 页码: 4511-4517
作者:  Y. L. Bai;  X. R. Chen;  X. D. Yang;  X. L. Zhou
收藏  |  浏览/下载：91/0  |  提交时间：2012/04/14
Difference-pseudopotential Method  Ab-initio  Metal-clusters  Semiconductor Clusters  Lithium Clusters  Silicon Clusters  Ci Method  Spectroscopy  Excitations  Germanium  
Electronic structure and structural properties of Ti4AlN3 investigated by ab initio calculations 期刊论文
Journal of the Physical Society of Japan, Journal of the Physical Society of Japan, 2002, 2002, 卷号: 71, 71, 期号: 5, 页码: 1313-1317, 1313-1317
作者:  Z. M. Sun;  Y. C. Zhou
收藏  |  浏览/下载：158/0  |  提交时间：2012/04/14
Electronic Structure  Electronic Structure  Chemical Bonding  Chemical Bonding  Ti4aln3  Ti4aln3  Ab Initio  Ab Initio  Pseudopotential Calculations  Pseudopotential Calculations  Anisotropic Bonding Character  Anisotropic Bonding Character  Titanium-silicon Carbide  Titanium-silicon Carbide  Liquid Reaction Process  Liquid Reaction Process  Al-n System  Al-n System  Thermal-properties  Thermal-properties  Bonding Properties  Bonding Properties  Ti3sic2 Ceramics  Ti3sic2 Ceramics  Bulk Ceramics  Bulk Ceramics  Temperature  Temperature  Microstructure  Microstructure  Ti3gec2  Ti3gec2  
Topics on microstructure researches in TiAl intermetallics using atomic scale observation and computational simulation 期刊论文
International Journal of Materials & Product Technology, 2001, 页码: 13-22
作者:  L. L. He;  L. G. Zhou;  R. Yu;  L. Dong;  H. Q. Ye
收藏  |  浏览/下载：70/0  |  提交时间：2012/04/14
Tial Intermetallics  Asymmetry Large Angle Tilting Gb  Ti2al Phase  Hrem  Ms Calculation  Ab Initio Pseudopotential Calculation  Ti2al Phase  Alloys  Al