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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
作者:  J. Zhang;  K. L. Yao;  Z. L. Liu;  G. Y. Gao;  X. C. Wang;  Y. L. Li
Adobe PDF(1124Kb)  |  收藏  |  浏览/下载:111/0  |  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  
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:  K. L. Yao;  Z. B. Li;  Z. L. Liu
Adobe PDF(735Kb)  |  收藏  |  浏览/下载:86/0  |  提交时间:2012/04/13
Dft  Electronic Structure  Ferromagnetic Properties  Ferromagnetic Interaction  Weak Ferromagnetism  Magnetic-properties  Azido  Copper(Ii)  Compound  Behavior  Ligand  
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
作者:  Z. B. Li;  K. L. Yao;  Z. L. Liu
Adobe PDF(197Kb)  |  收藏  |  浏览/下载:52/0  |  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  
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:108/0  |  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
作者:  Y. L. Li;  K. L. Yao;  Z. L. Liu
收藏  |  浏览/下载:74/0  |  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
作者:  K. L. Yao;  N. Liu;  Z. L. Liu;  Y. L. Li;  G. Y. Gao
收藏  |  浏览/下载:69/0  |  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.
收藏  |  浏览/下载:141/0  |  提交时间:2021/02/02
[Mn(L)(2)(N3)(n)]  azido group  
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:  K. L. Yao;  Y. S. Zhang;  Z. L. Liu;  L. H. Yu;  X. L. Wang
收藏  |  浏览/下载:86/0  |  提交时间:2012/04/14
[Mn(l)(2)(N3)(n)]  Azido Group  End-on Azido  Copper(Ii) Dinuclear Complex  Crystal-structure  Antiferromagnetic Interactions  Magnetostructural Correlations  Ferromagnetic Interaction  Nickel(Ii) Complexes  Compound  Ligand  Perchlorate  
The ferromagnetic copper (II)-azido compound [Cu(L)(2)(N-3)(2)](n) [L=4-(dimethylamino)pyridine] studied by first-principle calculation 期刊论文
PHYSICA B-CONDENSED MATTER, 2005, 卷号: 358, 期号: 1-4, 页码: 216-223
作者:  Zhang, YS;  Yao, KL;  Liu, ZL
收藏  |  浏览/下载:94/0  |  提交时间:2021/02/02
[Cu(L)(2)(N-3)(2)](n)  azido group  spin delocalization  
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
作者:  Zhang, YS;  Yao, YL;  Liu, ZL
收藏  |  浏览/下载:115/0  |  提交时间:2021/02/02
[{Cu(L)(N-3)(2)}(n)]  ferromagnetic  azido group