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Large influence of vacancies on the elastic constants of cubic epitaxial tantalum nitride layers grown by reactive magnetron sputtering 期刊论文
ACTA MATERIALIA, 2020, 卷号: 184, 页码: 254-266
作者:  Abadias, Gregory;  Li, Chen-Hui;  Belliard, Laurent;  Hu, Qing Miao;  Greneche, Nicolas;  Djemia, Philippe
收藏  |  浏览/下载：105/0  |  提交时间：2021/02/02
Nitrides  Thin films  Elastic constants  Point defects  Ab initio calculations  
Large influence of vacancies on the elastic constants of cubic epitaxial tantalum nitride layers grown by reactive magnetron sputtering 期刊论文
ACTA MATERIALIA, 2020, 卷号: 184, 页码: 254-266
作者:  Abadias, Gregory;  Li, Chen-Hui;  Belliard, Laurent;  Hu, Qing Miao;  Greneche, Nicolas;  Djemia, Philippe
收藏  |  浏览/下载：127/0  |  提交时间：2021/02/02
Nitrides  Thin films  Elastic constants  Point defects  Ab initio calculations  
Alloying effects on properties of Al2O3 and TiO2 in connection with oxidation resistance of TiAl 期刊论文
INTERMETALLICS, 2016, 卷号: 68, 页码: 57-62
作者:  Ping, Fa-Ping;  Hu, Qing-Miao;  Bakulin, Alexander V.;  Kulkova, Svetlana E.;  Yang, R.;  qmhu@imr.ac.cn
收藏  |  浏览/下载：140/0  |  提交时间：2016/04/21
Aluminides  Oxidation  Point Defects  Ab-initio Calculations  Phase Stability  Prediction  
Growth of alpha-axis ZnO films on the defective substrate with different O/Zn ratios: A reactive force field based molecular dynamics study 期刊论文
Journal of Alloys and Compounds, 2015, 卷号: 628, 页码: 317-324
作者:  L.;  Shahzad Liu, M. B.;  Qi, Y.
收藏  |  浏览/下载：150/0  |  提交时间：2015/05/08
Zinc Oxide  Non-polar Thin Films  Atomic Scale Structure  Point Defects  Molecular Dynamics Simulations  Atomic Layer Deposition  Beam Epitaxy  Thin-films  Zinc-oxide  Plane  Sapphire  Homoepitaxial Growth  Optical-properties  Temperature  Orientation  Nanogenerators  
Point defects in TiNi-based alloys from ab-initio calculations 期刊论文
MATERIALS TODAY-PROCEEDINGS, 2015, 卷号: 2, 页码: 615-618
作者:  Kulkova, S. E.;  Bakulin, A. V.;  Hu, Q. M.;  Yang, R.;  kulkova@ms.tsc.ru
收藏  |  浏览/下载：114/0  |  提交时间：2016/04/21
Point Defects  Electronic Structure  Tini-based Alloys  
First-principles study of point defects in solar cell semiconductor CuI 期刊论文
Physica B-Condensed Matter, 2013, 卷号: 413, 页码: 116-119
作者:  H. Chen;  C. Y. Wang;  J. T. Wang;  Y. Wu;  S. X. Zhou
收藏  |  浏览/下载：105/0  |  提交时间：2013/12/24
Cui  Semiconductor  Point Defects  First-principles  Structural-properties  Optical-properties  Pressure  Cubr  Cucl  Halides  Density  Films  
The formation of stacking fault tetrahedra in Al and Cu II SFT growth by successive absorption of vacancies generated by dipole annihilation 期刊论文
Acta Materialia, 2011, 卷号: 59, 期号: 1, 页码: 41200
作者:  H. Wang;  D. S. Xu;  R. Yang;  P. Veyssiere
收藏  |  浏览/下载：104/0  |  提交时间：2012/04/13
Stacking Fault Tetrahedron  Dislocation Dipole  Dislocation  Annihilation  Molecular Dynamics Simulations  Vacancy Cluster  Edge-dislocation Dipoles  Fcc Metals  Tensile Properties  Single-crystals  Quenched Gold  Temperature-dependence  Point-defects  Atomic-scale  Part i  Copper  
The formation of stacking fault tetrahedra in Al and Cu III Growth by expanding ledges 期刊论文
Acta Materialia, 2011, 卷号: 59, 期号: 1, 页码: 19-29
作者:  H. Wang;  D. S. Xu;  R. Yang;  P. Veyssiere
Adobe PDF(3094Kb)  |  收藏  |  浏览/下载：80/0  |  提交时间：2012/04/13
Stacking Fault Tetrahedron  Growth  Ledge Mechanism  Molecular Dynamics  Simulations  Shockley Dipole  Vacancy Clusters  Quenched Gold  Fcc Metals  Molecular-dynamics  Glissile Dislocations  Irradiated Materials  Elastic Interaction  Point-defects  Part i  Copper  
First-principles study on the effects of point vacancies on the spectral properties of MgAl(2)O(4) 期刊论文
Solid State Communications, 2011, 卷号: 151, 期号: 1, 页码: 29-32
作者:  S. L. Jiang;  T. C. Lu;  J. Zhang;  J. Chen
Adobe PDF(368Kb)  |  收藏  |  浏览/下载：109/0  |  提交时间：2012/04/13
Mgal(2)o(4) Spinel  Point Defects  Electronic Structures  Absorption  Spectra  Magnesium Aluminate Spinel  Transparent Mgal2o4  Optical-properties  Oxides  Al2o3  
First-principles study on the effects of point vacancies on the spectral properties of MgAl2O4 期刊论文
SOLID STATE COMMUNICATIONS, 2011, 卷号: 151, 期号: 1, 页码: 29-32
作者:  Jiang, Shengli;  Lu, Tiecheng;  Zhang, Jie;  Chen, Jun
收藏  |  浏览/下载：90/0  |  提交时间：2021/02/02
MgAl2O4 spinel  Point defects  Electronic structures  Absorption spectra