Effects of electron-electron correlations on defect and interface states in amorphous Si and Si02 systems

The effects of electron-electron correlations are included in the nearest-neighbor tight-binding model of tetrahedrally coordinated covalent solids in the amorphous phase. The amorphous systems are represented by Bethe lattices and the electron-electron interactions are parametrized for a short-...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Principais autores: Carriço, Artur da Silva, Barrio, R. A., Elliot, R. J.
Formato: article
Idioma:English
Publicado em: American Physical Society
Assuntos:
Effects of electron-electron
Endereço do item:https://repositorio.ufrn.br/jspui/handle/123456789/28677
https://doi.org/10.1103/PhysRevB.34.879
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
id ri-123456789-28677
record_format dspace
spelling ri-123456789-286772020-05-05T04:27:03Z Effects of electron-electron correlations on defect and interface states in amorphous Si and Si02 systems Carriço, Artur da Silva Barrio, R. A. Elliot, R. J. Effects of electron-electron The effects of electron-electron correlations are included in the nearest-neighbor tight-binding model of tetrahedrally coordinated covalent solids in the amorphous phase. The amorphous systems are represented by Bethe lattices and the electron-electron interactions are parametrized for a short- range interaction in a Hubbard-like Hamiltonian. Self-consistent solutions are obtained in the Hartree-Fock approximation. If defects are included the self-consistent energy parameters vary with distance away from the defect but the solution is still possible if this variation falls away rapid- ly over a few shells. The cases of dangling bonds in Si and Si02 are considered by terminating the Bethe lattice. The former shows localized states in the gap for two charge configurations, but Si02 shows only one. The interface between Si and Si02 is represented by joining two Bethe lattices. The self-consistent solution shows appreciable charge transfer on to the first 0 atom and consequential changes in the local density of states. The effects of electron-electron correlations are included in the nearest-neighbor tight-binding model of tetrahedrally coordinated covalent solids in the amorphous phase. The amorphous systems are represented by Bethe lattices and the electron-electron interactions are parametrized for a short- range interaction in a Hubbard-like Hamiltonian. Self-consistent solutions are obtained in the Hartree-Fock approximation. If defects are included the self-consistent energy parameters vary with distance away from the defect but the solution is still possible if this variation falls away rapid- ly over a few shells. The cases of dangling bonds in Si and Si02 are considered by terminating the Bethe lattice. The former shows localized states in the gap for two charge configurations, but Si02 shows only one. The interface between Si and Si02 is represented by joining two Bethe lattices. The self-consistent solution shows appreciable charge transfer on to the first 0 atom and consequential changes in the local density of states. 2020-03-26T20:58:40Z 2020-03-26T20:58:40Z 1986-07-15 article BARRIO, R.; ELLIOT, R.; CARRIÇO, Artur da Silva. Effects of electron-electron correlations on defect and interface states in amorphous Si and SiO_{2} systems. Physical Review. B, Condensed Matter, v. 34, p. 879-885, 1986. Disponível em: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.34.879 . Acesso em: 26. mar. 2020. https://repositorio.ufrn.br/jspui/handle/123456789/28677 https://doi.org/10.1103/PhysRevB.34.879 en application/pdf American Physical Society
institution Repositório Institucional
collection RI - UFRN
language English
topic Effects of electron-electron
spellingShingle Effects of electron-electron
Carriço, Artur da Silva
Barrio, R. A.
Elliot, R. J.
Effects of electron-electron correlations on defect and interface states in amorphous Si and Si02 systems
description The effects of electron-electron correlations are included in the nearest-neighbor tight-binding model of tetrahedrally coordinated covalent solids in the amorphous phase. The amorphous systems are represented by Bethe lattices and the electron-electron interactions are parametrized for a short- range interaction in a Hubbard-like Hamiltonian. Self-consistent solutions are obtained in the Hartree-Fock approximation. If defects are included the self-consistent energy parameters vary with distance away from the defect but the solution is still possible if this variation falls away rapid- ly over a few shells. The cases of dangling bonds in Si and Si02 are considered by terminating the Bethe lattice. The former shows localized states in the gap for two charge configurations, but Si02 shows only one. The interface between Si and Si02 is represented by joining two Bethe lattices. The self-consistent solution shows appreciable charge transfer on to the first 0 atom and consequential changes in the local density of states.
format article
author Carriço, Artur da Silva
Barrio, R. A.
Elliot, R. J.
author_facet Carriço, Artur da Silva
Barrio, R. A.
Elliot, R. J.
author_sort Carriço, Artur da Silva
title Effects of electron-electron correlations on defect and interface states in amorphous Si and Si02 systems
title_short Effects of electron-electron correlations on defect and interface states in amorphous Si and Si02 systems
title_full Effects of electron-electron correlations on defect and interface states in amorphous Si and Si02 systems
title_fullStr Effects of electron-electron correlations on defect and interface states in amorphous Si and Si02 systems
title_full_unstemmed Effects of electron-electron correlations on defect and interface states in amorphous Si and Si02 systems
title_sort effects of electron-electron correlations on defect and interface states in amorphous si and si02 systems
publisher American Physical Society
publishDate 2020
url https://repositorio.ufrn.br/jspui/handle/123456789/28677
https://doi.org/10.1103/PhysRevB.34.879
work_keys_str_mv AT carricoarturdasilva effectsofelectronelectroncorrelationsondefectandinterfacestatesinamorphoussiandsi02systems
AT barriora effectsofelectronelectroncorrelationsondefectandinterfacestatesinamorphoussiandsi02systems
AT elliotrj effectsofelectronelectroncorrelationsondefectandinterfacestatesinamorphoussiandsi02systems
_version_ 1773966860931301376

Registros relacionados