LOCALIZED STATES AND BAND STRUCTURE

1972 ◽  
Vol 33 (C3) ◽  
pp. C3-21-C3-25 ◽  
Author(s):  
F. BASSANI
Keyword(s):  
Band Structure ◽  
Localized States

scholarly journals Calculation of the band structure and density of localized states of materials of the quasi-binary system Zn3As2–Mn3As2

2021 ◽  
Vol 328 ◽  
pp. 114237
Author(s):  
V.S. Zakhvalinskii ◽  
T.B. Nikulicheva ◽  
E.A. Pilyuk ◽  
A.S. Kubankin ◽  
O.N. Ivanov ◽  
...  
Keyword(s):  
Binary System ◽  
Band Structure ◽  
Localized States ◽  
Density Of Localized States ◽  
Quasi Binary System

Empirical Tight-Binding Applied to Silicon Nanoclusters

1997 ◽  
Vol 491 ◽  
Author(s):  
G. Allan ◽  
C. Delerue ◽  
M. Lannoo
Keyword(s):  
Band Structure ◽  
Nearest Neighbor ◽  
Good Description ◽  
Tight Binding ◽  
Localized States ◽  
Basis Set ◽  
Band Structure Calculation ◽  
Minimal Basis ◽  
Tight Binding Approximation ◽  
Bulk Band

ABSTRACTThe calculation of the electronic structure of silicon nanostructures is used to discuss the accuracy of results obtained by the tight-binding method. We first show that the level of refinement of the tight-binding approximation must be adapted to the calculated property. For example, an accurate description of both the valence and conduction bands which can be achieved with a 3rd-nearest neighbor approximation is necessary to calculate the variation of the gap energy with the silicon crystallite size. The sp3s* model which gives a bad description of the conduction band underestimates the confinement energy but can give good results when it is used to determine the variation of the crystallite band gap with pressure. To study Si-III (BC-8) nanocrystallites, we show that a good description of the bulk band structure can be obtained with non-orthogonal tight-binding but due to the large number of nearest neighbors one must take analytical variations of the parameter with interatomic distances. The parameters involved in these expressions can be easily fitted to the bulk band structures using the k-point symmetry without requiring the use of group theory. Finally we discuss the effect of increasing the size of the minimal-basis set and we show that it would be possible to get the values of the tight-binding parameters from a first-principles localized states band structure calculation avoiding the fit to the energy dispersion curves.

Band Structure and Electronic Excitations in Cdl-xMnxTe

1986 ◽  
Vol 89 ◽  
Author(s):  
Su-Huai Wei ◽  
Alex Zunger
Keyword(s):  
Band Structure ◽  
Localized States ◽  
Electronic Excitations ◽  
Many Body ◽  
Band Structure Calculations ◽  
Spin Polarized ◽  
Semiconductor Alloy ◽  
Schematic Energy Level Diagram ◽  
The Many ◽  
Structure Calculations

AbstractWe have performed spin-polarized, self-consistent local spin density total energy and band structure calculations for the prototype semimagnetic semiconductor alloy Cd1-xMnxTe. Based on the calculated band structures and taking into account the many body effects of localized states, we propose a schematic energy level diagram to interpret the d→d*, p→d, and photoemission transitions in Cd1-xMnxTe.

Electronic structure near the band gap of heavily nitrogen doped GaAs and GaP

2001 ◽  
Vol 692 ◽  
Author(s):  
Yong Zhang ◽  
B. Fluegel ◽  
M. Hanna ◽  
A. Duda ◽  
A. Mascarenhas
Keyword(s):  
Band Structure ◽  
Band Gap ◽  
Doping Level ◽  
Bound States ◽  
Nitrogen Doping ◽  
Localized States ◽  
Nitrogen Doped ◽  
Band Structure Calculations ◽  
Level 3 ◽  
Structure Calculations

AbstractIsoelectronic impurity nitrogen atoms have been found to generate a series of localized states in GaP and GaAs. These states can be either bound (within the band gap) or resonant (above the band gap) when in the dilute doping limit (roughly < 1019 cm−3 for GaP and < 1018 cm−3 for GaAs). With increasing nitrogen doping level, a shift of the absorption edge from the binary band gap has been observed for the so-called GaPN or GaAsN alloy. We discuss the similarity and dissimilarity between the two systems in the following aspects: (1) How does the nitrogen doping perturb the host band structure? (2) How do the nitrogen bound states evolve with increasing nitrogen doping level? (3) What are the dominant contributors to the band edge absorption? And (4) does a universal model exist for GaPN and GaAsN? Other issues that will be discussed are: how does one define the band gap for these materials, and what is the relevance of various theoretical band structure calculations to the experimentally measured parameters.

scholarly journals Band Structure and Surface Localized States of Fe Thin Film on Cu Surface

Shinku ◽  
2004 ◽  
Vol 47 (3) ◽  
pp. 232-234 ◽  
Author(s):  
Tomoya KISHI ◽  
Hideaki KASAI ◽  
Hiroshi NAKANISHI ◽  
Wilson Agerico DIÑO ◽  
Fumio KOMORI
Keyword(s):  
Thin Film ◽  
Band Structure ◽  
Localized States

The electronic band structure of silicon

Physica ◽  
1954 ◽  
Vol 3 (7-12) ◽  
pp. 967-970
Author(s):  
D JENKINS
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band
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