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
2009 [6]
学科主题
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发表日期:2009
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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:5/0
  |  
提交时间:2021/02/02
FP-LAPW
Magnetic properties
Electronic structure
First-principles electronic-structure calculation on the spin distribution and the half-metallic properties of the mixed valence iron compound Ba2F2Fe1.5S3
期刊论文
OAI收割
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2009, 卷号: 321, 期号: 9, 页码: 1192-1198
作者:
Liu, J.
;
Yao, K. L.
;
Luo, B.
;
Mua, Z. E.
;
Zhu, L.
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2021/02/02
DFT
Antiferromagnetic
Electronic structure
Superexchange interaction
Mixed valence iron compound
Stability and bonding mechanism of ternary (Mg, Fe, Ni)H-2 hydrides from first principles calculations
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2009, 卷号: 34, 期号: 3, 页码: 1389-1398
作者:
Song, Y.
;
Zhang, W. C.
;
Yang, R.
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2021/02/02
Hydride
MgH2
DFT
Electronic structure
First-principles electronic-structure calculation on the spin distribution and the half-metallic properties of the mixed valence iron compound Ba(2)F(2)Fe(1.5)S(3)
期刊论文
OAI收割
Journal of Magnetism and Magnetic Materials, 2009, 卷号: 321, 期号: 9, 页码: 1192-1198
J. Liu
;
K. L. Yao
;
B. Luo
;
Z. E. Mua
;
L. Zhu
;
G. Y. Gao
;
Y. L. Li
;
Z. L. Liu
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2012/04/13
DFT
Antiferromagnetic
Electronic structure
Superexchange interaction
Mixed valence iron compound
fe-57 mossbauer spectrum
transition point
magnetite
ilvaite
systems
Stability and bonding mechanism of ternary (Mg, Fe, Ni)H(2) hydrides from first principles calculations
期刊论文
OAI收割
International Journal of Hydrogen Energy, 2009, 卷号: 34, 期号: 3, 页码: 1389-1398
Y. Song
;
W. C. Zhang
;
R. Yang
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2012/04/13
Hydride
MgH(2)
DFT
Electronic structure
hydrogen storage properties
transition-metals
magnesium
mgh2
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:18/0
  |  
提交时间:2012/04/13
FP-LAPW
Magnetic properties
Electronic structure
ab-initio
magnetism