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科研机构
金属研究所 [18]
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期刊论文 [18]
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2008 [5]
2007 [4]
2006 [2]
2005 [7]
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Two chain complexes of [(CH3)(2)NH2] [M(N-3)(2)( HCOO)] (M=Fe and Co) studied by first-principle electronic-structure calculation
期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2008, 卷号: 320, 期号: 3-4, 页码: 222-226
作者:
Yao, K. L.
;
Li, Z. B.
;
Liu, Z. L.
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浏览/下载:0/0
  |  
提交时间:2021/02/02
DFT
electronic structure
ferromagnetic properties
Two chain complexes of [(CH3)(2)NH2] [M(N-3)(2)( HCOO)] (M=Fe and Co) studied by first-principle electronic-structure calculation
期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2008, 卷号: 320, 期号: 3-4, 页码: 222-226
作者:
Yao, K. L.
;
Li, Z. B.
;
Liu, Z. L.
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2021/02/02
DFT
electronic structure
ferromagnetic properties
First principles study on the electronic structure of the two chain compounds of M(N-3)(2) (HCOO) (CH3)(2)NH2 (M = Fe and Co)
期刊论文
Solid State Communications, 2008, 卷号: 145, 期号: 1-2, 页码: 43-47
J. Zhang
;
K. L. Yao
;
Z. L. Liu
;
G. Y. Gao
;
X. C. Wang
;
Y. L. Li
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  |  
浏览/下载:14/0
  |  
提交时间:2012/04/13
organic magnet
magnetic semiconductors
first principles
electronic
structure
coupled organic ferromagnets
crystal-structure
magnetic-properties
complexes
azido
model
Electronic structure and ferromagnetic properties of organic-inorganic hybrid compound Cu(mu-cbdca)(H(2)O) (n)
期刊论文
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:16/0
  |  
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
Two chain complexes of (CH3)(2)NH2 M(N-3)(2)( HCOO) (M=Fe and Co) studied by first-principle electronic-structure calculation
期刊论文
Journal of Magnetism and Magnetic Materials, 2008, 卷号: 320, 期号: 3-4, 页码: 222-226
K. L. Yao
;
Z. B. Li
;
Z. L. Liu
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2012/04/13
DFT
electronic structure
ferromagnetic properties
ferromagnetic interaction
weak ferromagnetism
magnetic-properties
azido
copper(ii)
compound
behavior
ligand
Spin distribution and electronic structure of the ferromagnetic half-metal [Mn(bipy)(N-3)(2)]: Ab initio study
期刊论文
PHYSICA B-CONDENSED MATTER, 2007, 卷号: 395, 期号: 1-2, 页码: 28-32
作者:
Li, Y. L.
;
Yao, K. L.
;
Liu, Z. L.
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2021/02/02
density functional theory
density of states
magnetic properties
First-principles studies on the conductive and ferromagnetic properties of [Mn(ins)([mu(1,1)-N-3(CH3OH)](2)
期刊论文
PHYSICA B-CONDENSED MATTER, 2007, 卷号: 392, 期号: 1-2, 页码: 318-322
作者:
Yao, K. L.
;
Liu, N.
;
Liu, Z. L.
;
Li, Y. L.
;
Gao, G. Y.
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2021/02/02
first principles
azido group
ferromagnetic
electronic structure
Spin distribution and electronic structure of the ferromagnetic half-metal Mn(bipy)(N-3)(2) : Ab initio study
期刊论文
Physica B-Condensed Matter, 2007, 卷号: 395, 期号: 1-2, 页码: 28-32
Y. L. Li
;
K. L. Yao
;
Z. L. Liu
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2012/04/13
density functional theory
density of states
magnetic properties
end-on azido
magnetic-properties
crystal-structure
complexes
compound
systems
bridge
copper
chain
state
First-principles studies on the conductive and ferromagnetic properties of Mn(ins)( mu(1,1)-N-3(CH3OH) (2)
期刊论文
Physica B-Condensed Matter, 2007, 卷号: 392, 期号: 1-2, 页码: 318-322
K. L. Yao
;
N. Liu
;
Z. L. Liu
;
Y. L. Li
;
G. Y. Gao
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2012/04/13
first principles
azido group
ferromagnetic
electronic structure
copper (ii)-azido compound
end-on azido
magnetic-properties
magnetostructural correlations
structural-characterization
nickel(ii)
complexes
electronic-structure
crystal-structures
bridging ligand
systems
The magnetic behavior and electronic structure of manganese (II)-azido complex [Mn(L)(2)(N3)(2)](n) studied by first-principle calculation
期刊论文
PHYSICS LETTERS A, 2006, 卷号: 359, 期号: 3, 页码: 227-233
作者:
Yao, K. L.
;
Zhang, Y. S.
;
Liu, Z. L.
;
Yu, L. H.
;
Wang, X. L.
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  |  
浏览/下载:0/0
  |  
提交时间:2021/02/02
[Mn(L)(2)(N3)(n)]
azido group
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