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金属研究所 [40]
兰州理工大学 [15]
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合肥物质科学研究院 [2]
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期刊论文 [73]
会议论文 [1]
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High-pressure phase transition and thermodynamic properties from first-principles calculations: Application to cubic copper iodide
期刊论文
MATERIALS CHEMISTRY AND PHYSICS, 2018, 卷号: 203, 页码: 362-373
作者:
Bioud, Nadhira
;
Kassali, Kamel
;
Sun, Xiao-Wei
;
Song, Ting
;
Khenata, Rabah
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浏览/下载:1/0
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提交时间:2019/11/15
Inorganic compounds
Ab initio calculations
Phase transitions
Elastic properties
Thermodynamic properties
Theoretical investigation on the high-pressure physical properties of ZnN in cubic zinc blende, rock salt, and cesium chloride structures
期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2017, 卷号: 110, 页码: 70-75
作者:
Tian, J. H.
;
Song, T.
;
Sun, X. W.
;
Wang, T.
;
Jiang, G.
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浏览/下载:3/0
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提交时间:2019/11/15
ZnN
Phase transition
Thermodynamic property
High pressure
The effect of pressure on the structural, electronic, magnetic, and thermodynamic properties of the Mn2RuGe inverse Heusler alloy
期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2017, 卷号: 428, 页码: 287-292
作者:
Song, Ting
;
Sun, Xiao-Wei
;
Tian, Jun-Hong
;
Wei, Xiao-Ping
;
Wan, Gui-Xin
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  |  
浏览/下载:7/0
  |  
提交时间:2019/11/15
Electronic structure
Magnetism
Thermodynamic properties
Mn2RuGe
High pressure
Thermal expansion, heat capacity and Gruneisen parameter of iridium phosphide Ir2P from quasi-harmonic Debye model
期刊论文
SOLID STATE COMMUNICATIONS, 2017, 卷号: 253, 页码: 19-23
作者:
Liu, Z. J.
;
Song, T.
;
Sun, X. W.
;
Ma, Q.
;
Wang, T.
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  |  
浏览/下载:7/0
  |  
提交时间:2019/11/15
A. Ir2P
D. Thermal expansion
D. Heat capacity
D. Gruneisen parameter
Thermal expansion, heat capacity and Grüneisen parameter of iridium phosphide Ir2P from quasi-harmonic Debye model
期刊论文
Solid State Communications, 2017, 卷号: 253, 页码: 19-23
作者:
Liu, Z. J.
;
Song, T.
;
Sun, X. W.
;
Ma, Q.
;
Wang, T.
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浏览/下载:0/0
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提交时间:2020/11/14
Calculations
Density functional theory
Expansion
Harmonic analysis
Iridium compounds
Phonons
Specific heat
Temperature
Thermal expansion
Time varying systems
A. Ir2P
Constant pressures
First-principles calculation
Generalized gradient approximations
Harmonic approximation
Quasi-harmonic Debye model
Thermal expansion coefficients
Whole pressure ranges
High-pressure and high-temperature physical properties of half-metallic full-Heusler alloy Mn2RuSi by first-principles and quasi-harmonic Debye model
期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2017, 卷号: 424, 页码: 359-364
作者:
Song, Ting
;
Ma, Qin
;
Sun, Xiao-Wei
;
Liu, Zi-Jiang
;
Wei, Xiao-Ping
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浏览/下载:0/0
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提交时间:2019/11/15
Mn2RuSi
First-principles calculation
Quasi-harmonic Debye model
High pressure
High temperature
Phase stability, electronic structure and equation of state of cubic TcN from first-principles calculations
期刊论文
PHYSICS LETTERS A, 2016, 卷号: 380, 期号: 38, 页码: 3144-3148
作者:
Song, T.
;
Ma, Q.
;
Sun, X. W.
;
Liu, Z. J.
;
Fu, Z. J.
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浏览/下载:0/0
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提交时间:2019/11/15
Phase stability
Electronic structure
Equation of state
TcN
High pressure
First-Principles Study the Electronic and Thermodynamic Properties for CoBi3 Superconductor
期刊论文
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2016, 卷号: 29, 页码: 1203-1211
作者:
Wei, Xiao-Ping
;
Zhou, You-He
;
Zhang, Ya-Ling
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浏览/下载:10/0
  |  
提交时间:2018/05/31
First-principles calculations
Superconductor
Electronic structure
Thermodynamic properties
Studying the phase transition, thermal expansion, and heat capacity of technetium mononitride by first-principles calculations
期刊论文
CHEMICAL PHYSICS LETTERS, 2016, 卷号: 649, 页码: 64-67
作者:
Liu, Z. J.
;
Sun, X. W.
;
Song, T.
;
Ma, Q.
;
Guo, Y.
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  |  
浏览/下载:8/0
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提交时间:2019/11/15
Calculations
Expansion
Ground state
Nitrogen compounds
Phase transitions
Specific heat
Thermal expansion
Constant pressures
Constant-volume heat capacity
First-principles calculation
Ground-state phase
Quasi-harmonic Debye model
Thermal expansion coefficients
Transition pressure
Zero pressure
The mechanical and thermodynamic properties of ZrAl2 under pressure from first-principles investigation
期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2016, 卷号: 27, 期号: 1, 页码: 1-9
作者:
Wei, Ning
;
Wang, Xuefei
;
Zuo, Xuzhong
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浏览/下载:18/0
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提交时间:2017/12/13
First-principles
Elastic Properties
Thermodynamic Properties
Zral2 Alloy
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