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 [24]
采集方式
OAI收割 [24]
内容类型
期刊论文 [24]
发表日期
2013 [1]
2011 [1]
2010 [1]
2009 [2]
2008 [5]
2007 [5]
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The electronic structure and magnetic properties of Na NpO2(OH)(2) by first-principles calculations
期刊论文
OAI收割
Journal of Magnetism and Magnetic Materials, 2013, 卷号: 343, 页码: 208-213
S. C. Zhu
;
K. L. Yao
;
G. Y. Gao
;
Y. Ni
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2013/12/24
FP-LAPW
DFT
GGA
Magnetic properties
Electronic structure
crystal-structure
neptunium
The effect of defects on the electronic and magnetic properties of Fe2MnSi Heusler alloy
期刊论文
OAI收割
Physica Status Solidi B-Basic Solid State Physics, 2011, 卷号: 248, 期号: 12, 页码: 2893-2898
B. Hamad
;
Q. M. Hu
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2012/04/13
defects
DFT
FP-LAPW
Heusler alloys
magnetic properties
First-principles study of the stability and the electronic structure of NiO/MgO interface
期刊论文
OAI收割
Computational Materials Science, 2010, 卷号: 50, 期号: 1, 页码: 198-202
H. M. Huang
;
S. J. Luo
;
K. L. Yao
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2012/04/13
FP-LAPW
Surface energy
Interface
magnetic anisotropy
surface
nio
adhesion
feo
coo
First-principles study on the electronic structure and the ferromagnetic properties of the cyano-bridged bimetallic compound Mn-2(H2O)(5)Mo(CN)(7)center dot 4H(2)O (alpha phase)
期刊论文
OAI收割
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2009, 卷号: 321, 期号: 14, 页码: 2200-2203
作者:
Huang, H. M.
;
Luo, S. J.
;
Yao, K. L.
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2021/02/02
FP-LAPW
Magnetic properties
Electronic structure
First-principles study on the electronic structure and the ferromagnetic properties of the cyano-bridged bimetallic compound Mn(2)(H(2)O)(5)Mo(CN)(7)center dot 4H(2)O (alpha phase)
期刊论文
OAI收割
Journal of Magnetism and Magnetic Materials, 2009, 卷号: 321, 期号: 14, 页码: 2200-2203
H. M. Huang
;
S. J. Luo
;
K. L. Yao
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2012/04/13
FP-LAPW
Magnetic properties
Electronic structure
ab-initio
magnetism
Electronic structure and ferromagnetic properties of organic-inorganic hybrid compound [Cu(mu-cbdca)(H2O)](n)
期刊论文
OAI收割
ACTA PHYSICO-CHIMICA SINICA, 2008, 卷号: 24, 期号: 9, 页码: 1681-1684
作者:
Li Zong-Bao
;
Yao Kai-Lun
;
Liu Zu-Li
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2021/02/02
density functional theory
electronic structure
FP LAPW
Ab initio study of the electronic structure and the magnetic properties of polymers Co[N(CN)(2)](2)(L) [L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo)] with dual mu- and mu 3-[N(CN)(2)](-) bridges
期刊论文
OAI收割
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2008, 卷号: 320, 期号: 6, 页码: L50-L54
作者:
Zhu, L.
;
Yao, K. L.
;
Liu, Z. L.
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2021/02/02
ab initio
FP-LAPW
electronic structure
ferromagnetic property
Ab initio study of the electronic structure and the magnetic properties of polymers Co[N(CN)(2)](2)(L) [L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo)] with dual mu- and mu 3-[N(CN)(2)](-) bridges
期刊论文
OAI收割
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2008, 卷号: 320, 期号: 6, 页码: L50-L54
作者:
Zhu, L.
;
Yao, K. L.
;
Liu, Z. L.
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2021/02/02
ab initio
FP-LAPW
electronic structure
ferromagnetic property
Electronic structure and ferromagnetic properties of organic-inorganic hybrid compound Cu(mu-cbdca)(H(2)O) (n)
期刊论文
OAI收割
Acta Physico-Chimica Sinica, 2008, 卷号: 24, 期号: 9, 页码: 1681-1684
Z. B. Li
;
K. L. Yao
;
Z. L. Liu
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2012/04/13
density functional theory
electronic structure
FP LAPW
molecular magnets
azido
copper(ii)
complexes
carboxylate
nickel(ii)
bridges
system
ligand
Ab initio study of the electronic structure and the magnetic properties of polymers Co N(CN)(2) (2)(L) L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo) with dual mu- and mu 3- N(CN)(2) (-) bridges
期刊论文
OAI收割
Journal of Magnetism and Magnetic Materials, 2008, 卷号: 320, 期号: 6, 页码: L50-L54
L. Zhu
;
K. L. Yao
;
Z. L. Liu
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2012/04/13
ab initio
FP-LAPW
electronic structure
ferromagnetic property
networks
molecule
ni
co