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Strain and Composition Dependencies of the Near-Band-Gap Optical Transitions in Monoclinic (AlxGa1−x)2O3 Alloys with Coherent Biaxial In-Plane Strain on Ga2O3(010)

Korlacki, Rafał ; Hilfiker, Matthew ; Knudtson, Jenna ; Stokey, Megan ; Kilic, Ufuk ; Mauze, Akhil ; Zhang, Yuewei ; Speck, James S. ; Darakchieva, Vanya LU and Schubert, Mathias (2022) In Physical Review Applied 18.
Abstract
The bowing of the energy of the three lowest band-to-band transitions in β−(AlxGa1−x)2O3
alloys is resolved using a combined density-functional theory (DFT) and
generalized spectroscopic ellipsometry approach. The DFT calculations
of the electronic band structure of both β−Ga2O3 and θ−Al2O3
allow the linear portion of the energy shift in the alloys to be
extracted, and provide a method for quantifying the role of coherent
strain present in the β−(AlxGa1−x)2O3 thin films on (010) β−Ga2O3
substrates. The energies of band-to-band transitions are obtained using
the spectroscopic ellipsometry eigenpolarization model approach [A.
Mock et al., Phys. Rev. B 95, 165202 (2017)]. After
... (More)
The bowing of the energy of the three lowest band-to-band transitions in β−(AlxGa1−x)2O3
alloys is resolved using a combined density-functional theory (DFT) and
generalized spectroscopic ellipsometry approach. The DFT calculations
of the electronic band structure of both β−Ga2O3 and θ−Al2O3
allow the linear portion of the energy shift in the alloys to be
extracted, and provide a method for quantifying the role of coherent
strain present in the β−(AlxGa1−x)2O3 thin films on (010) β−Ga2O3
substrates. The energies of band-to-band transitions are obtained using
the spectroscopic ellipsometry eigenpolarization model approach [A.
Mock et al., Phys. Rev. B 95, 165202 (2017)]. After
subtracting the effects of strain, which also induces additional bowing
and after subtraction of the linear portion of the energy shift due to
alloying, the bowing parameters associated with the three lowest
band-to-band transitions in monoclinic β−(AlxGa1−x)2O3 are found. (Less)
Please use this url to cite or link to this publication:
author
; ; ; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Epitaxial strain, Electronic structure, Ultra-wide bandgap semiconductors, DFT, Spectroscopic Ellipsometry,
in
Physical Review Applied
volume
18
article number
064019
pages
13 pages
publisher
American Physical Society
external identifiers
  • scopus:85143706376
ISSN
2331-7019
DOI
10.1103/PhysRevApplied.18.064019
language
English
LU publication?
yes
id
8d2ed0ee-80f9-4c04-9557-a22ce6df4cc8
date added to LUP
2023-02-12 14:40:07
date last changed
2024-03-30 04:00:48
@article{8d2ed0ee-80f9-4c04-9557-a22ce6df4cc8,
  abstract     = {{The bowing of the energy of the three lowest band-to-band transitions in β−(AlxGa1−x)2O3<br>
 alloys is resolved using a combined density-functional theory (DFT) and<br>
 generalized spectroscopic ellipsometry approach. The DFT calculations <br>
of the electronic band structure of both β−Ga2O3 and θ−Al2O3<br>
 allow the linear portion of the energy shift in the alloys to be <br>
extracted, and provide a method for quantifying the role of coherent <br>
strain present in the β−(AlxGa1−x)2O3 thin films on (010) β−Ga2O3<br>
 substrates. The energies of band-to-band transitions are obtained using<br>
 the spectroscopic ellipsometry eigenpolarization model approach [A. <br>
Mock <i>et al.</i>, Phys. Rev. B <b>95</b>, 165202 (2017)]. After <br>
subtracting the effects of strain, which also induces additional bowing <br>
and after subtraction of the linear portion of the energy shift due to <br>
alloying, the bowing parameters associated with the three lowest <br>
band-to-band transitions in monoclinic β−(AlxGa1−x)2O3 are found.}},
  author       = {{Korlacki, Rafał and Hilfiker, Matthew and Knudtson, Jenna and Stokey, Megan and Kilic, Ufuk and Mauze, Akhil and Zhang, Yuewei and Speck, James S. and Darakchieva, Vanya and Schubert, Mathias}},
  issn         = {{2331-7019}},
  keywords     = {{Epitaxial strain, Electronic structure, Ultra-wide bandgap semiconductors, DFT, Spectroscopic Ellipsometry,}},
  language     = {{eng}},
  publisher    = {{American Physical Society}},
  series       = {{Physical Review Applied}},
  title        = {{Strain and Composition Dependencies of the Near-Band-Gap Optical Transitions in Monoclinic (Al<sub>x</sub>Ga<sub>1−x</sub>)<sub>2</sub>O<sub>3</sub>  Alloys with Coherent Biaxial In-Plane Strain on Ga<sub>2</sub>O<sub>3</sub>(010)}},
  url          = {{http://dx.doi.org/10.1103/PhysRevApplied.18.064019}},
  doi          = {{10.1103/PhysRevApplied.18.064019}},
  volume       = {{18}},
  year         = {{2022}},
}