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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：100/0  |  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  
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:  Zhang, J.;  Yao, K. L.;  Liu, Z. L.;  Gao, G. Y.;  Wang, X. C.;  Li, Y. L.
收藏  |  浏览/下载：60/0  |  提交时间：2021/02/02
organic magnet  magnetic semiconductors  first principles  electronic structure  
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 study on electronic structure and magnetic properties of organic transition metal compound: Trans-tetrachloro-bis-(pyridine)-rhenium 期刊论文
Journal of Magnetism and Magnetic Materials, 2006, 卷号: 299, 期号: 1, 页码: 35-40
作者:  K. L. Yao;  L. H. Yu;  Z. L. Liu
收藏  |  浏览/下载：54/0  |  提交时间：2012/04/14
Fp-lapw Method  Organic Magnet  Electronic Structure  Magnetic  Properties  Ferromagnetism  
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：113/0  |  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  
ab initio study of electronic structure and magnetic properties of a novel two-dimensional copper (II)-radical complex [Cu(NTTmPY)(2)(N-3)(2)](n) 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2004, 卷号: 41, 期号: 1, 页码: 119-122
作者:  Yao, KL;  Wang, LQ;  Liu, ZL;  Zou, WD;  Luo, SJ;  Zu, FX;  Zhu, L
收藏  |  浏览/下载：109/0  |  提交时间：2021/02/02
organic magnet  electronic structure  
ab initio study of electronic structure and magnetic properties of a novel two-dimensional copper (II)-radical complex Cu(NTTmPY)(2)(N-3)(2) (n) 期刊论文
Communications in Theoretical Physics, 2004, 卷号: 41, 期号: 1, 页码: 119-122
作者:  K. L. Yao;  L. Q. Wang;  Z. L. Liu;  W. D. Zou;  S. J. Luo;  F. X. Zu;  L. Zhu
收藏  |  浏览/下载：73/0  |  提交时间：2012/04/14
Organic Magnet  Electronic Structure  Coupled Organic Ferromagnets  Nitronyl Nitroxide  Density  Model  
The electronic structure and the ferromagnetic properties of the organic radical 4-methacryloyloxy-2,2,6,6-tetramethyl-1-piperidinyloxyl (MOTMP) 期刊论文
Solid State Communications, 2004, 卷号: 132, 期号: 10, 页码: 657-660
作者:  K. L. Yao;  L. Zhu;  Z. L. Liu
收藏  |  浏览/下载：84/0  |  提交时间：2012/04/14
The Organic Magnet  Ab Initio Method  Electronic Structure  Ferromagnetic Properties  Generalized Gradient Approximation  1st-principles  Model  
First-principles study on ferromagnetic intermolecular interactions of pure organic solid: 2-(5-pyrimidinyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-3-oxoimidazol-1-oxyl 期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2003, 卷号: 263, 期号: 3, 页码: 360-365
作者:  Zou, WD;  Liu, ZL;  Yao, KL
收藏  |  浏览/下载：60/0  |  提交时间：2021/02/02
ab initio method  the organic magnet  electronic structure  ferromagnetic properties  
First-principles study on ferromagnetic intermolecular interactions of pure organic solid: 2-(5-pyrimidinyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-3-oxoimidazol-1-oxy l 期刊论文
Journal of Magnetism and Magnetic Materials, 2003, 卷号: 263, 期号: 3, 页码: 360-365
作者:  W. D. Zou;  Z. L. Liu;  K. L. Yao
收藏  |  浏览/下载：69/0  |  提交时间：2012/04/14
Ab Initio Method  The Organic Magnet  Electronic Structure  Ferromagnetic Properties  Magnetic-properties  Nitronyl Nitroxide  Radicals  Crystal