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期刊论文 [19]
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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
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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.
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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)
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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.
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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)
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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