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The role of dipole-dipole interaction in modulating the step-like magnetization of Ca3Co2O6 期刊论文
Journal of Applied Physics, 2012, 卷号: 111, 期号: 7
作者:  Y. L. Xie;  L. Lin;  Z. B. Yan;  K. F. Wang;  J. M. Liu
收藏  |  浏览/下载:95/0  |  提交时间:2013/02/05
One-dimensional Ca3co2o6  Density-of-states  Compound Ca3co2o6  Algorithm  Crystal  
First-principles study on the electronic structure of dilute magnetic semiconductor Ga1-xCrxP in zinc-blende phase 期刊论文
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2011, 卷号: 248, 期号: 5, 页码: 1258-1263
作者:  Huang, H. M.;  Luo, S. J.;  Yao, K. L.
收藏  |  浏览/下载:95/0  |  提交时间:2021/02/02
dilute magnetic semiconductors  density functional theory  electron density of states  GaCrP  
First-principles study on the electronic structure of dilute magnetic semiconductor Ga(1-x)Cr(x)P in zinc-blende phase 期刊论文
Physica Status Solidi B-Basic Solid State Physics, 2011, 卷号: 248, 期号: 5, 页码: 1258-1263
作者:  H. M. Huang;  S. J. Luo;  K. L. Yao
Adobe PDF(285Kb)  |  收藏  |  浏览/下载:167/0  |  提交时间:2012/04/13
Dilute Magnetic Semiconductors  Density Functional Theory  Electron  Density Of States  Gacrp  Half-metallic Ferromagnets  Heusler Alloys  Doped Gap  Spin  Gaas  Ge  Al  Si  
Spin-polarized transport and the electronic structure of the metallic antiferromagnet Fe(thiazole)(2)Cl-2 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 131, 期号: 20, 页码: 5
作者:  Zhu, L.;  Yao, K. L.;  Liu, Z. L.
收藏  |  浏览/下载:68/0  |  提交时间:2021/02/02
antiferromagnetic materials  band structure  electron spin polarisation  electronic density of states  ferromagnetic materials  iron compounds  magnetoresistance  spin polarised transport  
Spin-polarized transport and the electronic structure of the metallic antiferromagnet Fe(thiazole)(2)Cl-2 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 131, 期号: 20, 页码: 5
作者:  Zhu, L.;  Yao, K. L.;  Liu, Z. L.
收藏  |  浏览/下载:97/0  |  提交时间:2021/02/02
antiferromagnetic materials  band structure  electron spin polarisation  electronic density of states  ferromagnetic materials  iron compounds  magnetoresistance  spin polarised transport  
Two-step magnetization in a spin-chain system on the triangular lattice: Wang-Landau simulation 期刊论文
Physical Review B, 2009, 卷号: 79, 期号: 17
作者:  M. H. Qin;  K. F. Wang;  J. M. Liu
Adobe PDF(957Kb)  |  收藏  |  浏览/下载:137/0  |  提交时间:2012/04/13
Calcium Compounds  Exchange Interactions (Electron)  Ising Model  Magnetisation  Thermodynamics  One-dimensional Ca3co2o6  Density-of-states  Compound Ca3co2o6  Phase-diagram  Proteins  Crystal  
Spin-polarized transport and the electronic structure of the metallic antiferromagnet Fe(thiazole)(2)Cl(2) 期刊论文
Journal of Chemical Physics, 2009, 卷号: 131, 期号: 20
作者:  L. Zhu;  K. L. Yao;  Z. L. Liu
Adobe PDF(429Kb)  |  收藏  |  浏览/下载:81/0  |  提交时间:2012/04/13
Antiferromagnetic Materials  Band Structure  Electron Spin Polarisation  Electronic Density Of States  Ferromagnetic Materials  Iron Compounds  Magnetoresistance  Spin Polarised Transport  Bridged Polymer  Dichlorobis(Thiazole)Iron(Ii)  1st-principles  Spintronics  
Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 23, 页码: 12
作者:  Hu, Chao-Hao;  Oganov, A. R.;  Wang, Y. M.;  Zhou, H. Y.;  Lyakhov, A.;  Hafner, J.
收藏  |  浏览/下载:97/0  |  提交时间:2021/02/02
ab initio calculations  beryllium compounds  crystal structure  density functional theory  desorption  energy gap  enthalpy  ground states  heat of formation  high-pressure solid-state phase transformations  hydrogen storage  lithium compounds  space groups  
Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 23, 页码: 12
作者:  Hu, Chao-Hao;  Oganov, A. R.;  Wang, Y. M.;  Zhou, H. Y.;  Lyakhov, A.;  Hafner, J.
收藏  |  浏览/下载:77/0  |  提交时间:2021/02/02
ab initio calculations  beryllium compounds  crystal structure  density functional theory  desorption  energy gap  enthalpy  ground states  heat of formation  high-pressure solid-state phase transformations  hydrogen storage  lithium compounds  space groups  
Crystal structure prediction of LiBeH(3) using ab initio total-energy calculations and evolutionary simulations 期刊论文
Journal of Chemical Physics, 2008, 卷号: 129, 期号: 23
作者:  C. H. Hu;  A. R. Oganov;  Y. M. Wang;  H. Y. Zhou;  A. Lyakhov;  J. Hafner
Adobe PDF(813Kb)  |  收藏  |  浏览/下载:81/0  |  提交时间:2012/04/13
Ab Initio Calculations  Beryllium Compounds  Crystal Structure  Density  Functional Theory  Desorption  Energy Gap  Enthalpy  Ground States  Heat  Of Formation  High-pressure Solid-state Phase Transformations  Hydrogen  Storage  Lithium Compounds  Space Groups  Hydrogen-storage Materials  Density-functional Calculations  Lithium-beryllium Hydrides  Augmented-wave Method  Light-metal Hydrides  Electronic-structure  Aluminum Hydrides  Phase-transition  Stability  Csmgh3