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科研机构
兰州理工大学 [10]
内容类型
期刊论文 [10]
发表日期
2018 [4]
2017 [2]
2015 [4]
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专题:兰州理工大学
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Investigation of electronic structures and optical properties of β -Si3N4 doped with IV A elements: A first-principles simulation
期刊论文
AIP Advances, 2018, 卷号: 8, 期号: 4
作者:
Lu, Xuefeng
;
Gao, Xu
;
Ren, Junqiang
;
Li, Cuixia
;
Guo, Xin
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2020/11/14
Electronic structure
Energy gap
Germanium compounds
Microelectronics
Silicon nitride
Charge difference
First-principles simulations
Formation energies
Generalized gradient approximations
Indirect band gap
Micro-electronic devices
Mulliken populations
Perdew-burke-ernzerhof
Investigation of electronic structures and optical properties of β -Si3N4 doped with IV A elements: A first-principles simulation
期刊论文
AIP Advances, 2018, 卷号: 8, 期号: 4
作者:
Lu, Xuefeng
;
Gao, Xu
;
Ren, Junqiang
;
Li, Cuixia
;
Guo, Xin
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2022/02/17
Electronic structure
Energy gap
Germanium compounds
Microelectronics
Semiconducting germanium
Silicon nitride
Charge difference
First-principles simulations
Formation energies
Generalized gradient approximations
Indirect band gap
Micro-electronic devices
Mulliken populations
Perdew-burke-ernzerhof
Investigation of electronic structures and optical properties of beta-Si3N4 doped with IV A elements: A first-principles simulation
期刊论文
AIP ADVANCES, 2018, 卷号: 8, 期号: 4
作者:
Lu, Xuefeng
;
Gao, Xu
;
Ren, Junqiang
;
Li, Cuixia
;
Guo, Xin
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/11/15
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
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/11/15
Inorganic compounds
Ab initio calculations
Phase transitions
Elastic properties
Thermodynamic properties
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.
收藏
  |  
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.
收藏
  |  
浏览/下载:0/0
  |  
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
First-principles calculation of sulfur-selenium segregation in ZnSe1-xSx: The role of lattice vibration
期刊论文
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2015, 卷号: 39, 页码: 96-102
作者:
Li, Xiao-Kang
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Lu, Wen-Jiang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/11/15
First-principles calculation
Miscibility gap
Phase separation
Lattice vibrations
Debye temperature, thermal expansion, and heat capacity of TcC up to 100 GPa
期刊论文
MATERIALS RESEARCH BULLETIN, 2015, 卷号: 61, 页码: 58-63
作者:
Song, T.
;
Ma, Q.
;
Tian, J. H.
;
Liu, X. B.
;
Ouyang, Y. H.
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/11/15
Inorganic compounds
High pressure
Thermal expansion
Specific heat
Debye temperature, thermal expansion, and heat capacity of TcC up to 100 GPa
期刊论文
Materials Research Bulletin, 2015, 卷号: 61, 页码: 58-63
作者:
Song, T.
;
Ma, Q.
;
Tian, J.H.
;
Liu, X.B.
;
Ouyang, Y.H.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2022/02/17
Debye temperature
Density functional theory
Inorganic compounds
Technetium compounds
Temperature
Thermal expansion
Constant-volume heat capacity
Density functional theory methods
Generalized gradient approximations
High pressure
Plane wave pseudopotential
Pressure and temperature
Quasi-harmonic Debye model
Thermal expansion coefficients
Debye temperature, thermal expansion, and heat capacity of TcC up to 100 GPa
期刊论文
Materials Research Bulletin, 2015, 卷号: 61, 页码: 58-63
作者:
Song, T.
;
Ma, Q.
;
Tian, J.H.
;
Liu, X.B.
;
Ouyang, Y.H.
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2022/02/17
Debye temperature
Density functional theory
Inorganic compounds
Technetium compounds
Temperature
Thermal expansion
Constant-volume heat capacity
Density functional theory methods
Generalized gradient approximations
High pressure
Plane wave pseudopotential
Pressure and temperature
Quasi-harmonic Debye model
Thermal expansion coefficients
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