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科研机构
金属研究所 [36]
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期刊论文 [36]
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2010 [1]
2008 [3]
2007 [3]
2006 [2]
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Electronic Structure and Magnetic Properties of Cu C(CN)(3) (2) and Mn C(CN)(3) (2) Based on First Principles
期刊论文
Communications in Theoretical Physics, 2010, 卷号: 54, 期号: 5, 页码: 938-942
H. M. Huang
;
S. J. Luo
;
K. L. Yao
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浏览/下载:9/0
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提交时间:2012/04/13
first principles
magnetic properties
half-metallic properties
organic/inorganic hybrid materials
coordination polymers
crystal-structure
1st-principles
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
Ab initio studies on the stability, magnetic property and electronic structure of the molecule-based magnet: Mn-2(dpp)(2)(H2O)(2)Cl-4 center dot 2H(2)O, dpp=2,3-bis(2-paridyl) pyrazine
期刊论文
Solid State Communications, 2008, 卷号: 145, 期号: 7-8, 页码: 364-367
S. W. Fan
;
K. L. Yao
;
Z. L. Liu
;
Z. W. Wang
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  |  
浏览/下载:24/0
  |  
提交时间:2012/04/13
organic magnetic semiconductors
ab initio method
electronic structure
ferromagnetic properties
copper(ii) binuclear compounds
transition-metal-complexes
density-functional theory
iron-sulfur clusters
organic ferromagnets
theoretical-model
systems
Specific Heat and Charge Density of Quasi-One-Dimensional Interchain Coupling Organic Ferromagnets
期刊论文
Communications in Theoretical Physics, 2008, 卷号: 50, 期号: 6, 页码: 1435-1438
Z. L. Wang
;
K. L. Yao
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  |  
浏览/下载:12/0
  |  
提交时间:2012/04/13
specific heat
charge density
organic ferromagnets
polymer ferromagnets
free-radicals
state
model
The electronic structure and the ferromagnetic intermolecular interactions in the crystal of a diphenyl nitroxide derivative
期刊论文
Philosophical Magazine, 2007, 卷号: 87, 期号: 27, 页码: 4119-4129
L. Zhu
;
K. L. Yao
;
Z. L. Liu
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  |  
浏览/下载:14/0
  |  
提交时间:2012/04/13
organic ferromagnets
free-radicals
transition
magnets
model
First principles study on the electronic structure of the organic conductors (EDT-TSF)(2)MCl4 (M-Ga and Fe)
期刊论文
Physica B-Condensed Matter, 2007, 卷号: 398, 期号: 1, 页码: 40-45
K. L. Yao
;
J. Zhang
;
Z. L. Liu
;
G. Y. Gao
;
X. C. Wang
;
Y. L. Li
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  |  
浏览/下载:8/0
  |  
提交时间:2012/04/13
first principles
electronic structure
organic magnet
FP-LAPW method
ferromagnets
First-principle study on the electronic structure and ferromagnetic properties of a three-dimensional coordination polymer: Cu(HCO2)(2)L (L=4,4 '-bipyridine)
期刊论文
Physica B-Condensed Matter, 2007, 卷号: 395, 期号: 1-2, 页码: 84-87
K. L. Yao
;
S. W. Fan
;
Z. L. Liu
;
Y. L. Li
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  |  
浏览/下载:12/0
  |  
提交时间:2012/04/13
density-function theory
electronic structure
ferromagnetic properties
organic ferromagnets
magnetic-properties
molecular magnets
temperature
surfaces
chains
model
The electronic structure and the ferromagnetic intermolecular interactions in the crystal of TEMPO radicals
期刊论文
Journal of Magnetism and Magnetic Materials, 2006, 卷号: 301, 期号: 2, 页码: 301-307
L. Zhu
;
K. L. Yao
;
Z. L. Liu
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  |  
浏览/下载:14/0
  |  
提交时间:2012/04/14
DFT
4-benzylideneamino-2
the organic magnet
2
electronic structure
6
ferromagnetic properties
6-tetramethylpiperidin-1-oxyl
coupled organic ferromagnets
1st-principles
model
First-principle calculation on the electronic structure of the molecule-based ferromagnet Co P(CN)(2) (2) and M N(CN)(2) (2) (M = Co, Ni)
期刊论文
Chemical Physics Letters, 2006, 卷号: 424, 期号: 1-3, 页码: 209-213
L. Zhu
;
K. L. Yao
;
Z. L. Liu
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  |  
浏览/下载:12/0
  |  
提交时间:2012/04/14
organic ferromagnets
magnetic-materials
dicyanamide anion
First principle calculation on the electronic structure of the copper (II)-azido compound {Cu(L)(N-3)(2)}(n) (L = benzylamine)
期刊论文
Journal of Magnetism and Magnetic Materials, 2005, 卷号: 288, 页码: 331-338
Y. S. Zhang
;
Y. L. Yao
;
Z. L. Liu
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  |  
浏览/下载:16/0
  |  
提交时间:2012/04/14
[{Cu(L)(N-3)(2)}(n)]
ferromagnetic
azido group
end-to-end
organic ferromagnets
magnetic-properties
crystal-structure
on azido
antiferromagnetic interactions
magnetostructural correlations
nickel(ii) complexes
dinuclear complex
molecular magnets
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