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Tests on the Accuracy and Scalability of the Full-Potential DFT Method Based on Multiple Scattering Theory 期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 590047
作者:  Cao PY(曹沛宇);  Fang J;  Gao XY;  Tian FY;  Song HF
Adobe PDF(1650Kb)  |  收藏  |  浏览/下载：209/31  |  提交时间：2021/02/09
first principles  Korringa-Kohn-Rostoker (KKR)  multiple scattering theory (MST)  full potential  elastic constants  
A density functional study of zinc oxide elastic properties under high pressure 会议论文
IUTAM Symposium on Surface Effects in the Mechanics of Nanomaterials and Heterostructures, 2010, Beijing, China, August 8, 2010 - August 12, 2010
作者:  Wang BB;  Zhao YP(赵亚溥)
浏览  |  Adobe PDF(872Kb)  |  收藏  |  浏览/下载：226/100  |  提交时间：2018/11/08
Biosensors  Blending  Chemical vapor deposition  Crystal symmetry  Crystals  Density functional theory  Elastic constants  Elasticity  II  VI semiconductors  Lattice constants  Local density approximation  Nanocomposites  Nanostructured materials  Zinc sulfide  Chemical vapor depositions (CVD)  Density  functional study  Elastic properties  Environment pressure  Generalized gradient approximations  Longitudinal direction  Multi  scale simulation  Zinc blend structure  
Size- And Temperature-Dependent Thermal Expansion Coefficient Of A Nanofilm 期刊论文
Chinese Physics Letters, 2009, 卷号: 26, 期号: 6, 页码: 066201
作者:  Zhou LJ;  Guo JG(郭建刚);  Zhao YP(赵亚溥)
Adobe PDF(245Kb)  |  收藏  |  浏览/下载：578/139  |  提交时间：2009/08/03
Long-range Relationship  X-ray-diffraction  Thin-films  Elastic-constants  Surface  Morse  Modulus  Metals