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期刊论文 [25]
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Effect of doping concentration on the antiferromagnetic transition temperature of multiferroic YMnO3: A first-principles study
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 218, 页码: 5
作者:
Chen, D.
;
Wang, Y. J.
;
Zhu, Y. L.
;
Ma, X. L.
收藏
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浏览/下载:64/0
  |  
提交时间:2023/05/09
First-principles
Concentration
Electronic structure
Magnetic property
HexagonalYMnO3
The half-metallic characteristics of the (001) surface of zinc-blende TiTe
期刊论文
Journal of Magnetism and Magnetic Materials, 2013, 卷号: 346, 页码: 166-170
作者:
J. M. K. Al-zyadi
;
R. M. Samuel
;
G. Y. Gao
;
K. L. Yao
收藏
  |  
浏览/下载:123/0
  |  
提交时间:2013/12/24
Zb Tite
Half-metallicity
Electronic Property
First-principle
Calculations
Molecular-beam Epitaxy
Electronic-structure
Ferromagnetism
1st-principles
Theoretical characterization on intrinsic ferrimagnetic phase in nanoscale laminated Cr2GeC
期刊论文
Solid State Communications, 2013, 卷号: 174, 页码: 43-49
作者:
N. Li
;
C. C. Dharmawardhana
;
K. L. Yao
;
W. Y. Ching
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  |  
浏览/下载:201/0
  |  
提交时间:2013/12/24
Max Phase
Structure Property
Electronic Structure
Mechanical-properties
Electronic-structure
Elastic-moduli
Stability
Ni3al
Pseudopotentials
1st-principles
Pressure
Alloys
Cr2nb
Density functional study on size-dependent structures, stabilities, electronic and magnetic properties of AunM (M=Al and Si, n=1-9) clusters: comparison with pure gold clusters
期刊论文
Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 7, 页码: 3061-3072
作者:
Y. F. Li
;
A. J. Mao
;
Y. Li
;
X. Y. Kuang
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  |  
浏览/下载:109/0
  |  
提交时间:2013/02/05
Cluster
Density Functional Theory
Electronic Property
Geometric
Configuration
Relative Stability
Nanoclusters
Spectroscopy
Geometries
Oxidation
Energies
Cations
Silver
Co
Geometrical, electronic, and magnetic properties of small AunSc (n=1-8) clusters
期刊论文
PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 期号: 17, 页码: 3160-3165
作者:
Die Dong
;
Kuang Xiao-Yu
;
Zhu Bing
;
Guo Jian-Jun
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  |  
浏览/下载:80/0
  |  
提交时间:2021/02/02
AunSc cluster
Geometrical structure
Electronic and magnetic property
Geometrical, electronic, and magnetic properties of small AunSc (n=1-8) clusters
期刊论文
PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 期号: 17, 页码: 3160-3165
作者:
Die Dong
;
Kuang Xiao-Yu
;
Zhu Bing
;
Guo Jian-Jun
收藏
  |  
浏览/下载:94/0
  |  
提交时间:2021/02/02
AunSc cluster
Geometrical structure
Electronic and magnetic property
Density functional study of the structural and electronic properties of tetra-aluminum oxide image omitted (3 n 8,=0,-1) clusters
期刊论文
Molecular Physics, 2011, 卷号: 109, 期号: 4, 页码: 603-612
作者:
M. M. Zhong
;
X. Y. Kuang
;
H. Q. Wang
;
H. F. Li
;
Y. R. Zhao
Adobe PDF(894Kb)
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  |  
浏览/下载:108/0
  |  
提交时间:2012/04/13
Aluminum Oxide Clusters
Geometric Structure
Relative Stability
Electronic Property
Molecular-orbital Methods
Al3on-n=1-3 Clusters
Gaussian-basis Sets
Photoelectron-spectroscopy
Conductivity
Alo2
Geometrical, electronic, and magnetic properties of small Au(n)Sc (n=1-8) clusters
期刊论文
Physica B-Condensed Matter, 2011, 卷号: 406, 期号: 17, 页码: 3160-3165
作者:
D. Die
;
X. Y. Kuang
;
B. Zhu
;
J. J. Guo
Adobe PDF(910Kb)
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收藏
  |  
浏览/下载:73/0
  |  
提交时间:2012/04/13
Au(n)Sc Cluster
Geometrical Structure
Electronic And Magnetic Property
Effective Core Potentials
Molecular Calculations
Gold Clusters
Oxidation
Catalysts
Magnetic and Electrical Behavior of MnTe(1-x)Sb(x) Alloys
期刊论文
Journal of Materials Science & Technology, 2011, 卷号: 27, 期号: 1, 页码: 64-68
作者:
X. He
;
Y. Q. Zhang
;
Z. D. Zhang
Adobe PDF(486Kb)
  |  
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  |  
浏览/下载:85/0
  |  
提交时间:2012/04/13
Electronic Transport Property
Hysteresis Loop
Specific Heat
Manganese Telluride
Semiconductors
Ferromagnetism
Scattering
Exchange
Structural and electronic properties of silver-doped gold clusters Au(n)Ag(v) (2 <= n <= 10; v=0,+/- 1): comparison with pure gold clusters
期刊论文
Molecular Physics, 2011, 卷号: 109, 期号: 16, 页码: 2057-2068
作者:
P. Lu
;
X. Y. Kuang
;
A. J. Mao
;
Z. H. Wang
;
Y. R. Zhao
Adobe PDF(1604Kb)
  |  
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  |  
浏览/下载:138/0
  |  
提交时间:2012/04/13
Silver-doped Gold Cluster
Geometric Structure
Electronic Property
Density Functional Theory
Relative Stability
Density-functional Calculations
Ion Mobility Measurements
Effective
Core Potentials
Molecular Calculations
Photoelectron-spectroscopy
Nanostructures
Transition
Oxidation
Anions
Shape