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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:  Fan, S. W.;  Yao, K. L.;  Liu, Z. L.;  Wang, Z. W.
收藏  |  浏览/下载：75/0  |  提交时间：2021/02/02
organic magnetic semiconductors  ab initio method  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
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  
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：81/0  |  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  
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