Advanced

BANDSTRUCTURE AND LOCALIZED DESCRIPTIONS OF NARROW-BAND SYSTEMS

Almbladh, Carl-Olof LU (1988) In Narrow-Band Phenomena—Influence of Electrons with Both Band and Localized Character 184. p.81-89
Abstract
In this note I would like to give some personal views on the relevance of bandstructure treatments of narrow-band systems. At first sight one might think that bandstructure theory is not a very appropriate framework for quasi-localized electrons. Nevertheless, it has been found that density-functional (DF) theory in its modern form gives a rather impressive description of ground-state properties for the majority of systems, not only " in principle " but also in practice via calculations based on the local-density approximation (LDA). I will here discuss some key concepts in DF theory with emphasis on physical significance of the eigenvalues which appear in the DF one-electron-like equations. I will also to some extent discuss the dynamical... (More)
In this note I would like to give some personal views on the relevance of bandstructure treatments of narrow-band systems. At first sight one might think that bandstructure theory is not a very appropriate framework for quasi-localized electrons. Nevertheless, it has been found that density-functional (DF) theory in its modern form gives a rather impressive description of ground-state properties for the majority of systems, not only " in principle " but also in practice via calculations based on the local-density approximation (LDA). I will here discuss some key concepts in DF theory with emphasis on physical significance of the eigenvalues which appear in the DF one-electron-like equations. I will also to some extent discuss the dynamical selfenergy Σ, which describes the " one-electron " excitations reached by adding or removing an electron, although there is very little work done for narrow-band electrons. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Chapter in Book/Report/Conference proceeding
publication status
published
subject
in
Narrow-Band Phenomena—Influence of Electrons with Both Band and Localized Character
editor
Fuggle, John C.; Sawatzky, George A.; Allen, J. W.; ; and
volume
184
pages
81 - 89
publisher
Plenum (Springer)
ISBN
978-1-4684-5561
language
English
LU publication?
yes
id
ee6f253b-eb14-4f1d-98d4-05b819e9e8ae (old id 8774002)
date added to LUP
2016-02-27 00:40:38
date last changed
2016-04-16 09:30:01
@inbook{ee6f253b-eb14-4f1d-98d4-05b819e9e8ae,
  abstract     = {In this note I would like to give some personal views on the relevance of bandstructure treatments of narrow-band systems. At first sight one might think that bandstructure theory is not a very appropriate framework for quasi-localized electrons. Nevertheless, it has been found that density-functional (DF) theory in its modern form gives a rather impressive description of ground-state properties for the majority of systems, not only " in principle " but also in practice via calculations based on the local-density approximation (LDA). I will here discuss some key concepts in DF theory with emphasis on physical significance of the eigenvalues which appear in the DF one-electron-like equations. I will also to some extent discuss the dynamical selfenergy Σ, which describes the " one-electron " excitations reached by adding or removing an electron, although there is very little work done for narrow-band electrons.},
  author       = {Almbladh, Carl-Olof},
  editor       = {Fuggle, John C. and Sawatzky, George A. and Allen, J. W.},
  isbn         = {978-1-4684-5561},
  language     = {eng},
  pages        = {81--89},
  publisher    = {Plenum (Springer)},
  series       = {Narrow-Band Phenomena—Influence of Electrons with Both Band and Localized Character},
  title        = {BANDSTRUCTURE AND LOCALIZED DESCRIPTIONS OF NARROW-BAND SYSTEMS},
  volume       = {184},
  year         = {1988},
}