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A comparative first-principles study on the physical properties of Gd2Zr2O7 weberite and pyrochlore
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 245, 页码: 7
作者:
Liu, Chenguang
;
Gao, Rongrong
;
Xia, Yue
;
Xia, Xiaoyi
;
Shi, Tan
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2024/10/08
Weberite
Pyrochlore
First principles calculations
Physical properties
First-principles study of the interaction of nitrogen with transition metal solutes in tungsten
期刊论文
OAI收割
JOURNAL OF NUCLEAR MATERIALS, 2024, 卷号: 596
作者:
He, Kang-Ni
;
Jing, Shui-Qing
;
Zhang, Yuan-Ye
;
Chen, L.
;
Xie, Z. M.
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2024/11/22
Tungsten
Nitrogen
Transition metal solutes
Interaction
First-principles calculations
Tunable 5d-t
2g
Mott State and Monoatomic Layer Two-Dimensional Electron Gas Realized in Spin-Orbit-Coupled SrIrO
3
through Heterostructuring
期刊论文
OAI收割
ACS APPLIED ELECTRONIC MATERIALS, 2024
作者:
Li, Miao
;
Ding, Zhenyu
;
Li, Liangyu
;
Liu, Yuqiang
;
Yang, Shuo-Wang
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/11/22
iridates
oxide heterostructures
Mott insulator-metaltransition
monatomic layer two-dimensional electron gas
spin-orbit coupling
first-principles calculations
Strain tunable optical and transport properties of intrinsic ferromagnetic semiconductor CrOCl monolayer
期刊论文
OAI收割
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2024, 卷号: 161
作者:
Li, Xiaolei
;
Zhang, Hongmei
;
Tao, Zichen
;
Huang, Yanyan
;
Dong, Zhengchao
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2024/11/20
Two-dimensional materials
Ferromagnetic semiconductors
Optical property
Carrier transport
First-principles calculations
Electronic signal for mechanical failure in two-dimensional
g
-SiC
期刊论文
OAI收割
SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2024, 卷号: 39, 期号: 6, 页码: 5
作者:
Li, Jing
;
Shi, Tan
;
Lu, Chenyang
;
Peng Q(彭庆)
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2024/05/27
instability
mechanical properties
electronic properties
two-dimensional SiC
first-principles calculations
mechanical failure
Hydrolysis mechanism of YbB
2
C
2
and the microstructure of the carbon derived from the hydrolysis reaction
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 171, 页码: 209-221
作者:
Li, Zhihui
;
Zhang, Hao
;
Chen, Jixin
;
Wang, Jiemin
;
Wang, Xiaohui
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2024/01/08
Carbide-derived carbon
YbB2C2
Hydrolysis
Molecular cell
First-principles calculations
First-principles study on the electronic structure of Pb10-xCux(PO4)6O ( x=0, 1)
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 171, 页码: 66-70
作者:
Lai, Junwen
;
Li, Jiangxu
;
Liu, Peitao
;
Sun, Yan
;
Chen, Xing-Qiu
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2024/01/08
First-principles calculations
Density functional theory
Electronic structure
Superconductivity
Flat bands
Strongly correlated electrons
Phase stability, elastic properties, and hardness of Ti
1-x
Al
x
N from first-principles calculations
期刊论文
OAI收割
PHYSICA B-CONDENSED MATTER, 2024, 卷号: 673, 页码: 8
作者:
Gao, Yang
;
Chen, Shu-Ming
;
Cao, Shuo
;
Zhang, Shang-Zhou
;
Djemia, Philippe
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2024/01/07
Hardness
Phase stability
Elastic modulus
First -principles calculations
Lattice Thermal Conductivity of Mg
3
(Bi,Sb)
2
Nanocomposites: A First-Principles Study
期刊论文
OAI收割
NANOMATERIALS, 2023, 卷号: 13, 期号: 22, 页码: 12
作者:
Peng, Qing
;
Yuan, Xiaoze
;
Zhao, Shuai
;
Chen, Xiao-Jia
;
Zhao S(赵帅)
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/01/08
Mg-3(BixSb1-x)(2)
lattice thermal conductivity
first-principles calculations
Temperature dependence of deformation mechanisms of a new Ni-based superalloy and high-temperature property optimization
期刊论文
OAI收割
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2023, 卷号: 27, 页码: 1214-1222
作者:
Zhao, Pengfei
;
Zhu, Heyu
;
Hou, Kunlei
;
Wang, Min
;
Hao, Xianchao
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/01/07
Ni-based superalloy
Temperature effect
Deformation mechanism
First-principles calculations
STEM