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  4. Defect Formation Energies of Interstitial C, Si, and Ge Impurities in beta-Ga2O3
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research article

Defect Formation Energies of Interstitial C, Si, and Ge Impurities in beta-Ga2O3

Bouzid, Assil  
•
Pasquarello, Alfredo  orcid-logo
August 1, 2019
Physica Status Solidi-Rapid Research Letters

Formation energies of C, Si, and Ge defects in beta-Ga2O3 are studied through hybrid functional calculations. The interstitial defects of these elements generally occur at higher energies than their substitutional counterparts, but are more stable at low Fermi energies in Ga-rich conditions, with their range of stability increasing from Ge and Si to C. In n-type and Ga-rich conditions, interstitials of Si and Ge show significantly higher formation energies than their substitutional form, but this difference is less pronounced for C. Charge transition levels of interstitial defects lie in the upper part of the band-gap, and account for several measured levels in unintentionally doped and Ge-doped samples of beta-Ga2O3.

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Type
research article
DOI
10.1002/pssr.201800633
Web of Science ID

WOS:000480289000001

Author(s)
Bouzid, Assil  
Pasquarello, Alfredo  orcid-logo
Date Issued

2019-08-01

Publisher

WILEY-V C H VERLAG GMBH

Published in
Physica Status Solidi-Rapid Research Letters
Volume

13

Issue

8

Article Number

1800633

Subjects

Materials Science, Multidisciplinary

•

Physics, Applied

•

Physics, Condensed Matter

•

Materials Science

•

Physics

•

beta-ga2o3

•

hybrid functional calculations

•

interstitial defects

•

substitutional defects

•

transparent

•

growth

•

oxide

•

gan

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
August 28, 2019
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/160665
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