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Band Structure Calculations of Strained Semiconductors Using Empirical Pseudopotential Theory
electronic band structure empirical pseudopotential method semiconductor silicon nanowire strain supercell
2014/11/7
Electronic band structure of various crystal orientations of relaxed and strained bulk, 1D and 2D confined semiconductors are investigated using nonlocal empirical pseudopotential method with spin-orb...
Corrections to the Coulomb pseudopotential in the theory of superconductivity
Coulomb pseudopotential the theory superconductivity
2012/2/27
We calculate corrections to the conventional result for the Coulomb pseudopotential in the theory of superconductivity. We find that retardation effects are still operative for higher order correction...
Quantum Mechanical Simulation of Electronic Transport in Nanostructured Devices by Efficient Self-consistent Pseudopotential Calculation
Quantum Mechanical Simulation of Electronic Transport Nanostructured Devices
2010/11/17
We present a new empirical pseudopotential (EPM) calculation approach to simulate the million
atom nanostructured semiconductor devices under potential bias using the periodic boundary con-
ditions....
Computational Study of Vibrational Dynamics of Binary Mg0.70Zn0.30 Metallic Glass by a Pseudopotential Theory
Pair potential Metallic Glasses Phonon dispersion curves Thermal properties Elastic properties
2010/4/8
The vibrational dynamics of Mg70Zn30 metallic glass has been studied at room temperature in terms of phonon eigen-frequencies of longitudinal and transverse modes employing three different approaches ...
Study of superconducting state parameters of ternary metallic glasses through pseudopotential approach
pseudopotential superconducting state parameters ternary metallic glasses
2010/10/13
A theoretical investigation on the screening dependence of the superconducting state parameters (SSPs) viz. the electron-phonon coupling strength , the Coulomb pseudopotential
μ, the transition tem...
Theoretical Study of Electronic Properties of the Semi-Conductors AlN and GaN With the Empirical Pseudopotential Method EPM
Empirical Pseudo-potential Method (EPM) nitride aluminium nitride gallium compounds III-N semi-conductors wide band gap semi-conductors energy gap charge density
2010/4/9
The electronic structure of binary compounds AlN and GaN are presented. We have used the empirical pseudo-potential method. Good agreement between the calculated results and experiment is obtained. Th...
Pseudopotential Density-Functional
Calculations for Structures of Small Carbon Clusters
CN (N=2～8)
pseudopotential density-functional theory real space
Langevin molecular dynamics annealing technique small carbon clusters
2007/8/15
2004Vol.41No.1pp.89-94DOI:
Pseudopotential Density-Functional
Calculations for Structures of Small Carbon Clusters
CN (N=2～8)
BAI Yu-Lin,1,2 CHEN Xiang-Rong,1 YANG
Xiang-Dong,1,...
期刊信息
篇名
Plane-wave pseudopotential study of mechanical and electronic properties for IV and III-V crystalline phases with zinc-blende structure
语种
英文
撰写或编译
撰写
作者
S. Q. Wang,H. Q. Ye
第一作者单位
中国科学院金属研究所
...
A plane-wave pseudopotential study on III-V zinc-blende and wurtzite semiconductors under pressure
2007/7/28
期刊信息
篇名
A plane-wave pseudopotential study on III-V zinc-blende and wurtzite semiconductors under pressure
语种
英文
撰写或编译
撰写
作者
S. Q. Wang,H. Q. Ye
第一作者单位
中国科学院金属研究所
刊物名称
J. Phys. : Condens. Matt
页面
14, ...
Pseudopotential-Based Full Zone k . p Technique for Indirect Bandgap Semiconductors: Si, Ge, Diamond and SiC
Band structure indirect bandgap semiconductors pseudopotentials
2010/4/9
The k . p is a versatile technique that describes the semiconductor band structure in the vicinity of the bandgap. The technique can be extended to full Brillouin zone by including more coupled bands ...
Evaluation of Bonding Orbitals in Amorphous Silicon by Means of the Chemical Pseudopotential Method
Bonding Orbitals Amorphous Silicon the Chemical Pseudopotential Method
2010/12/15
The chemical pseudopotential method has been used by a number of workers in order to study the valence bands of amorphous tetrahedrally bonded semiconductors. However, various problems related to this...