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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：99/0  |  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
作者:  S. W. Fan;  K. L. Yao;  Z. L. Liu;  Z. W. Wang
Adobe PDF(672Kb)  |  收藏  |  浏览/下载：80/0  |  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
作者:  Z. L. Wang;  K. L. Yao
Adobe PDF(138Kb)  |  收藏  |  浏览/下载：51/0  |  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
作者:  L. Zhu;  K. L. Yao;  Z. L. Liu
收藏  |  浏览/下载：93/0  |  提交时间：2012/04/13
Organic Ferromagnets  Free-radicals  Transition  Magnets  Model  
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, Physica B-Condensed Matter, 2007, 2007, 卷号: 395, 395, 期号: 1-2, 页码: 84-87, 84-87
作者:  K. L. Yao;  S. W. Fan;  Z. L. Liu;  Y. L. Li
收藏  |  浏览/下载：75/0  |  提交时间：2012/04/13
Density-function Theory  Density-function Theory  Electronic Structure  Electronic Structure  Ferromagnetic Properties  Ferromagnetic Properties  Organic Ferromagnets  Organic Ferromagnets  Magnetic-properties  Magnetic-properties  Molecular Magnets  Molecular Magnets  Temperature  Temperature  Surfaces  Surfaces  Chains  Chains  Model  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
作者:  K. L. Yao;  J. Zhang;  Z. L. Liu;  G. Y. Gao;  X. C. Wang;  Y. L. Li
收藏  |  浏览/下载：68/0  |  提交时间：2012/04/13
First Principles  Electronic Structure  Organic Magnet  Fp-lapw Method  Ferromagnets  
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
作者:  L. Zhu;  K. L. Yao;  Z. L. Liu
收藏  |  浏览/下载：157/0  |  提交时间：2012/04/14
Organic Ferromagnets  Magnetic-materials  Dicyanamide Anion  
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
作者:  L. Zhu;  K. L. Yao;  Z. L. Liu
收藏  |  浏览/下载：112/0  |  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 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:  Y. S. Zhang;  Y. L. Yao;  Z. L. Liu
收藏  |  浏览/下载：75/0  |  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  
Ab initio study of electronic structure and magnetic properties of copper (II) terephthalate 期刊论文
Physica B-Condensed Matter, 2005, 卷号: 370, 期号: 1-4, 页码: 104-109
作者:  L. Zhu;  K. L. Yao;  Z. L. Liu
收藏  |  浏览/下载：61/0  |  提交时间：2012/04/14
Ab Initio  Fp-lapw  Electronic Structure  Ferromagnetic Properties  Organic Ferromagnets  Polymer