Interface phenomena at semiconductor heterojunctions

Local-density valence-band offset in GaAs/AlAs

S. Massidda, B. I. Min, Arthur J Freeman

Research output: Contribution to journalArticle

91 Citations (Scopus)

Abstract

The valence-band offset Ev at the lattice-matched GaAs/AlAs(001) interface is derived from highly precise self-consistent all-electron local-density band-structure calculations of the (GaAs)n(AlAs)n(001) superlattices (with n3). We calculate Ev by using the core levelsavailable uniquely from an all-electron approachas reference energies. Since these are experimentally accessible quantities, a direct comparison with experiment is, in principle, possible. We find that Ev=0.50.05 eV, in very good agreement with recent experimental results (Ev=0.450.55 eV). Calculated core-level shifts are also compared with experiment. These results, which are closely related to changes in the charge-density distribution at the interface, contribute to understanding the underlying mechanism of the band discontinuity.

Original languageEnglish
Pages (from-to)9871-9874
Number of pages4
JournalPhysical Review B
Volume35
Issue number18
DOIs
Publication statusPublished - 1987

Fingerprint

Valence bands
Heterojunctions
heterojunctions
Semiconductor materials
valence
Core levels
Electrons
Superlattices
Charge density
Band structure
Experiments
density distribution
superlattices
discontinuity
electrons
shift
gallium arsenide
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Interface phenomena at semiconductor heterojunctions : Local-density valence-band offset in GaAs/AlAs. / Massidda, S.; Min, B. I.; Freeman, Arthur J.

In: Physical Review B, Vol. 35, No. 18, 1987, p. 9871-9874.

Research output: Contribution to journalArticle

@article{50b023de6a4144728e9285665789787f,
title = "Interface phenomena at semiconductor heterojunctions: Local-density valence-band offset in GaAs/AlAs",
abstract = "The valence-band offset Ev at the lattice-matched GaAs/AlAs(001) interface is derived from highly precise self-consistent all-electron local-density band-structure calculations of the (GaAs)n(AlAs)n(001) superlattices (with n3). We calculate Ev by using the core levelsavailable uniquely from an all-electron approachas reference energies. Since these are experimentally accessible quantities, a direct comparison with experiment is, in principle, possible. We find that Ev=0.50.05 eV, in very good agreement with recent experimental results (Ev=0.450.55 eV). Calculated core-level shifts are also compared with experiment. These results, which are closely related to changes in the charge-density distribution at the interface, contribute to understanding the underlying mechanism of the band discontinuity.",
author = "S. Massidda and Min, {B. I.} and Freeman, {Arthur J}",
year = "1987",
doi = "10.1103/PhysRevB.35.9871",
language = "English",
volume = "35",
pages = "9871--9874",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "18",

}

TY - JOUR

T1 - Interface phenomena at semiconductor heterojunctions

T2 - Local-density valence-band offset in GaAs/AlAs

AU - Massidda, S.

AU - Min, B. I.

AU - Freeman, Arthur J

PY - 1987

Y1 - 1987

N2 - The valence-band offset Ev at the lattice-matched GaAs/AlAs(001) interface is derived from highly precise self-consistent all-electron local-density band-structure calculations of the (GaAs)n(AlAs)n(001) superlattices (with n3). We calculate Ev by using the core levelsavailable uniquely from an all-electron approachas reference energies. Since these are experimentally accessible quantities, a direct comparison with experiment is, in principle, possible. We find that Ev=0.50.05 eV, in very good agreement with recent experimental results (Ev=0.450.55 eV). Calculated core-level shifts are also compared with experiment. These results, which are closely related to changes in the charge-density distribution at the interface, contribute to understanding the underlying mechanism of the band discontinuity.

AB - The valence-band offset Ev at the lattice-matched GaAs/AlAs(001) interface is derived from highly precise self-consistent all-electron local-density band-structure calculations of the (GaAs)n(AlAs)n(001) superlattices (with n3). We calculate Ev by using the core levelsavailable uniquely from an all-electron approachas reference energies. Since these are experimentally accessible quantities, a direct comparison with experiment is, in principle, possible. We find that Ev=0.50.05 eV, in very good agreement with recent experimental results (Ev=0.450.55 eV). Calculated core-level shifts are also compared with experiment. These results, which are closely related to changes in the charge-density distribution at the interface, contribute to understanding the underlying mechanism of the band discontinuity.

UR - http://www.scopus.com/inward/record.url?scp=0000751649&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000751649&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.35.9871

DO - 10.1103/PhysRevB.35.9871

M3 - Article

VL - 35

SP - 9871

EP - 9874

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 18

ER -