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  4. Identification of defect levels at InxGa1-xAs/oxide interfaces through hybrid functionals
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conference paper

Identification of defect levels at InxGa1-xAs/oxide interfaces through hybrid functionals

Komsa, Hannu-Pekka  
•
Pasquarello, Alfredo  
2011
Microelectronic Engineering
17th International Conference on Insultating Films on Semiconductors

Hybrid density functional calculations and atomistic models are used to study point defects in III-V compounds. We first study dangling-bonds in InxGa1-xAs. In GaAs, the cation dangling-bond levels are found in the upper part of the band gap, but they are in resonance with the conduction band in In0.53Ga0.47 As and InAs. The As dangling-bond level falls within the band gap, at about 0.1 eV from the valence band maximum. Dangling bonds are thus identified as possible origin for the experimentally observed defect states near the band edges at InxGa1-xAs/oxide interfaces. To investigate the origin of the experimental defect density at mid gap, we then focus on GaAs and consider other native defects, such as the As antisite, the Ga vacancy, and the As vacancy. The assignment to the As antisite is favored by the correspondence of calculated and measured defect levels, its low formation energy, and the observed dependence of the defect density on As surface concentration. (C) 2011 Elsevier B.V. All rights reserved.

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Type
conference paper
DOI
10.1016/j.mee.2011.03.081
Web of Science ID

WOS:000292572700097

Author(s)
Komsa, Hannu-Pekka  
Pasquarello, Alfredo  
Date Issued

2011

Publisher

Elsevier

Published in
Microelectronic Engineering
Volume

88

Start page

1436

End page

1439

Subjects

InGaAs

•

GaAs

•

Defects

•

Dangling bond

•

Vacancy

•

Arsenic antisite

•

Dft

•

Hybrid functional

•

Schottky-Barrier Formation

•

Ab-Initio

•

Compound Semiconductors

•

Gaas

•

Spectroscopy

•

Vacancies

•

States

Editorial or Peer reviewed

NON-REVIEWED

Written at

EPFL

EPFL units
CSEA  
Event nameEvent placeEvent date
17th International Conference on Insultating Films on Semiconductors

Grenoble, FRANCE

Jun 21-24, 2011

Available on Infoscience
December 16, 2011
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/73837
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