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First-principles calculation of crystalline materials genome: a preliminary study 期刊论文
Chinese Science Bulletin, 2014, 卷号: 59, 期号: 15, 页码: 1624-1634
作者:  S. Q. Wang;  H. Q. Ye
收藏  |  浏览/下载：118/0  |  提交时间：2014/07/03
Materials Genome  First-principles Calculation  Crystalline Material  Physical Property  Density-functional Theory  Density-functional Theory  Iii-v Compounds  Lonsdaleite Phases  Elastic  Properties  Lattice-dynamics  Semiconductors  Pressure  Principles  Stability  Solids  
Optical spectrum and EPR parameters for vanadium (V(3+)) in cadmium telluride 期刊论文
Philosophical Magazine Letters, 2010, 卷号: 90, 期号: 7, 页码: 533-538
作者:  W. L. Feng
Adobe PDF(116Kb)  |  收藏  |  浏览/下载：104/0  |  提交时间：2012/04/13
Optical Spectra  Epr  Crystal-field Theory  Ligand-field Theory  Cdte  v(3+)  Electron-paramagnetic-resonance  Atomic Screening Constants  Iii-v  Semiconductors  Doped Cdte  Hyperfine Interaction  Scf Functions  Crystals  Ions  Transition  Impurities  
Long wavelength emissions of periodic yard-glass shaped boron nitride nanotubes 期刊论文
Applied Physics Letters, 2009, 卷号: 94, 期号: 2
作者:  Z. G. Chen;  J. Zou;  G. Liu;  F. Li;  H. M. Cheng;  T. Sekiguchi;  M. Gu;  X. D. Yao;  L. Z. Wang;  G. Q. Lu
Adobe PDF(609Kb)  |  收藏  |  浏览/下载：157/0  |  提交时间：2012/04/13
Boron Compounds  Cathodoluminescence  Defect States  Glass  Iii-v  Semiconductors  Photoluminescence  Semiconductor Nanotubes  Wide Band  Gap Semiconductors  Bxcynz Nanotubes  Bn  
Structural, thermodynamic and electronic properties of zinc-blende AlN from first-principles calculations 期刊论文
Chinese Physics B, 2009, 卷号: 18, 期号: 3, 页码: 1207-1213
作者:  W. Zhang;  Y. Cheng;  J. Zhu;  X. R. Chen
Adobe PDF(194Kb)  |  收藏  |  浏览/下载：81/0  |  提交时间：2012/04/13
Local Density Approximation (Lda)  Thermodynamic Properties  Band  Structure  Aln  Iii-v Nitrides  Elastic-constants  Molecular-dynamics  Ab-initio  Gan  Phase  Pressure  Inn  Bn  Semiconductors  
Structures and phase transition of GaAs under pressure 期刊论文
Chinese Physics Letters, 2008, 卷号: 25, 期号: 6, 页码: 2169-2172
作者:  C. Hong-Ling;  C. Xiang-Rong;  J. Guang-Fu;  W. Dong-Qing
Adobe PDF(162Kb)  |  收藏  |  浏览/下载：81/0  |  提交时间：2012/04/13
Iii-v  Electronic-structure  Gallium-arsenide  Semiconductors  Stability  Alas  Iv  Si  
First-principles studies on the pressure dependences of the stress-strain relationship and elastic stability of semiconductors 期刊论文
Journal of Physics-Condensed Matter, 2006, 卷号: 18, 期号: 2, 页码: 395-409
作者:  S. Q. Wang;  H. Q. Ye;  S. Yip
收藏  |  浏览/下载：100/0  |  提交时间：2012/04/14
Induced Phase Transitions  Iii-v Semiconductors  Homogeneous Crystals  Lattice Instability  Lonsdaleite Phases  Ideal Strength  Finite Strain  Constants  Si  Silicon  
The local structure distortion of chromium-phosphorus clusters as Cr2+ impurity in InP semiconductors 期刊论文
Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences, 2006, 卷号: 61, 期号: 7-8, 页码: 371-374
作者:  X. M. Tan;  X. Y. Kuang;  K. W. Zhou;  C. Lu;  Q. S. Zhu
收藏  |  浏览/下载：82/0  |  提交时间：2012/04/14
Zero-field-splitting Parameters  Local Structure  Complete Energy Matrix  Iii-v Semiconductors  Jahn-teller System  Epr Parameters  Gaas  Gap  Spectra  Defect  Ions  
Ab initio pseudopotential studies of the pressure dependences of structural, electronic and optical properties for GaN 期刊论文
Solid State Communications, Solid State Communications, 2006, 2006, 卷号: 138, 138, 期号: 10-11, 页码: 494-497, 494-497
作者:  G. Y. Gao;  K. L. Yao;  Z. L. Liu;  Y. L. Li;  Y. C. Li;  Q. M. Liu
收藏  |  浏览/下载：63/0  |  提交时间：2012/04/13
Semiconductors  Semiconductors  Phase Transition  Phase Transition  Electronic Structure  Electronic Structure  Optical  Optical  Properties  Properties  Generalized Gradient Approximation  Generalized Gradient Approximation  Iii-v Nitrides  Iii-v Nitrides  Phase-transition  Phase-transition  Gallium Nitride  Gallium Nitride  Stability  Stability  Inn  Inn  Aln  Aln  
First-principles calculations for transition phase and thermodynamic properties of GaAs 期刊论文
Chinese Physics, 2006, 卷号: 15, 期号: 4, 页码: 802-806
作者:  L. Y. Lu;  X. R. Chen;  B. R. Yu;  Q. Q. Gou
收藏  |  浏览/下载：79/0  |  提交时间：2012/04/13
Transition Phase  Thermodynamic Properties  Gaas  High-pressure  Iii-v  Structural-properties  Electronic-structure  Molecular-dynamics  Gallium-arsenide  Semiconductors  Simulation  Stability  Alas