中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
金属研究所 [6]
采集方式
OAI收割 [6]
内容类型
期刊论文 [6]
发表日期
2014 [1]
2011 [1]
2006 [1]
2005 [1]
2003 [2]
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First-principles calculation of crystalline materials genome: a preliminary study
期刊论文
OAI收割
Chinese Science Bulletin, 2014, 卷号: 59, 期号: 15, 页码: 1624-1634
S. Q. Wang
;
H. Q. Ye
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  |  
浏览/下载:40/0
  |  
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
A comparative first-principles study of orbital hybridization in two-dimensional C, Si, and Ge
期刊论文
OAI收割
Physical Chemistry Chemical Physics, 2011, 卷号: 13, 期号: 25, 页码: 11929-11938
S. Q. Wang
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  |  
浏览/下载:11/0
  |  
提交时间:2012/04/13
lonsdaleite phases
elastic-constants
silicon nanotubes
graphite
carbon
graphene
First-principles studies on the pressure dependences of the stress-strain relationship and elastic stability of semiconductors
期刊论文
OAI收割
Journal of Physics-Condensed Matter, 2006, 卷号: 18, 期号: 2, 页码: 395-409
S. Q. Wang
;
H. Q. Ye
;
S. Yip
收藏
  |  
浏览/下载:80/0
  |  
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
Ab initio investigation of the pressure dependences of phonon and dielectric properties for III-V semiconductors
期刊论文
OAI收割
Journal of Physics-Condensed Matter, 2005, 卷号: 17, 期号: 28, 页码: 4475-4488
S. Q. Wang
;
H. Q. Ye
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2012/04/14
lattice-dynamical properties
functional perturbation-theory
bond-orbital model
effective charges
lonsdaleite phases
raman-scattering
force-constants
1st-principles
crystals
diamond
First-principles study on the lonsdaleite phases of C, Si and Ge
期刊论文
OAI收割
Journal of Physics-Condensed Matter, 2003, 卷号: 15, 期号: 12, 页码: L197-L202
S. Q. Wang
;
H. Q. Ye
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2012/04/14
diamond hexagonal silicon
total-energy calculations
plane-wave
electronic-structure
pseudopotentials
semiconductors
germanium
pressure
microscopy
defects
Ab initio elastic constants for the lonsdaleite phases of C, Si and Ge
期刊论文
OAI收割
Journal of Physics-Condensed Matter, 2003, 卷号: 15, 期号: 30, 页码: 5307-5314
S. Q. Wang
;
H. Q. Ye
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2012/04/14
diamond hexagonal silicon
electron-microscopy
energy calculations
1st-principles
pressure
temperature
germanium
defects
moduli