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The electronic structure and magnetic properties of Na NpO2(OH)(2) by first-principles calculations 期刊论文
Journal of Magnetism and Magnetic Materials, 2013, 卷号: 343, 页码: 208-213
作者:  S. C. Zhu;  K. L. Yao;  G. Y. Gao;  Y. Ni
收藏  |  浏览/下载：106/0  |  提交时间：2013/12/24
Fp-lapw  Dft  Gga  Magnetic Properties  Electronic Structure  Crystal-structure  Neptunium  
The effect of defects on the electronic and magnetic properties of Fe2MnSi Heusler alloy 期刊论文
Physica Status Solidi B-Basic Solid State Physics, 2011, 卷号: 248, 期号: 12, 页码: 2893-2898
作者:  B. Hamad;  Q. M. Hu
Adobe PDF(417Kb)  |  收藏  |  浏览/下载：97/0  |  提交时间：2012/04/13
Defects  Dft  Fp-lapw  Heusler Alloys  Magnetic Properties  
First-principles study of the stability and the electronic structure of NiO/MgO interface 期刊论文
Computational Materials Science, 2010, 卷号: 50, 期号: 1, 页码: 198-202
作者:  H. M. Huang;  S. J. Luo;  K. L. Yao
Adobe PDF(393Kb)  |  收藏  |  浏览/下载：81/0  |  提交时间：2012/04/13
Fp-lapw  Surface Energy  Interface  Magnetic Anisotropy  Surface  Nio  Adhesion  Feo  Coo  
First-principles study on the electronic structure and the ferromagnetic properties of the cyano-bridged bimetallic compound Mn-2(H2O)(5)Mo(CN)(7)center dot 4H(2)O (alpha phase) 期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2009, 卷号: 321, 期号: 14, 页码: 2200-2203
作者:  Huang, H. M.;  Luo, S. J.;  Yao, K. L.
收藏  |  浏览/下载：66/0  |  提交时间：2021/02/02
FP-LAPW  Magnetic properties  Electronic structure  
First-principles study on the electronic structure and the ferromagnetic properties of the cyano-bridged bimetallic compound Mn(2)(H(2)O)(5)Mo(CN)(7)center dot 4H(2)O (alpha phase) 期刊论文
Journal of Magnetism and Magnetic Materials, 2009, 卷号: 321, 期号: 14, 页码: 2200-2203
作者:  H. M. Huang;  S. J. Luo;  K. L. Yao
Adobe PDF(247Kb)  |  收藏  |  浏览/下载：69/0  |  提交时间：2012/04/13
Fp-lapw  Magnetic Properties  Electronic Structure  Ab-initio  Magnetism  
Electronic structure and ferromagnetic properties of organic-inorganic hybrid compound [Cu(mu-cbdca)(H2O)](n) 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2008, 卷号: 24, 期号: 9, 页码: 1681-1684
作者:  Li Zong-Bao;  Yao Kai-Lun;  Liu Zu-Li
收藏  |  浏览/下载：67/0  |  提交时间：2021/02/02
density functional theory  electronic structure  FP LAPW  
Ab initio study of the electronic structure and the magnetic properties of polymers Co[N(CN)(2)](2)(L) [L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo)] with dual mu- and mu 3-[N(CN)(2)](-) bridges 期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2008, 卷号: 320, 期号: 6, 页码: L50-L54
作者:  Zhu, L.;  Yao, K. L.;  Liu, Z. L.
收藏  |  浏览/下载：74/0  |  提交时间：2021/02/02
ab initio  FP-LAPW  electronic structure  ferromagnetic property  
Ab initio study of the electronic structure and the magnetic properties of polymers Co[N(CN)(2)](2)(L) [L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo)] with dual mu- and mu 3-[N(CN)(2)](-) bridges 期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2008, 卷号: 320, 期号: 6, 页码: L50-L54
作者:  Zhu, L.;  Yao, K. L.;  Liu, Z. L.
收藏  |  浏览/下载：59/0  |  提交时间：2021/02/02
ab initio  FP-LAPW  electronic structure  ferromagnetic property  
Ab initio study of the electronic structure and the magnetic properties of polymers Co N(CN)(2) (2)(L) L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo) with dual mu- and mu 3- N(CN)(2) (-) bridges 期刊论文
Journal of Magnetism and Magnetic Materials, 2008, 卷号: 320, 期号: 6, 页码: L50-L54
作者:  L. Zhu;  K. L. Yao;  Z. L. Liu
Adobe PDF(932Kb)  |  收藏  |  浏览/下载：131/0  |  提交时间：2012/04/13
Ab Initio  Fp-lapw  Electronic Structure  Ferromagnetic Property  Networks  Molecule  Ni  Co  
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：48/0  |  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