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Comprehensive Raman study of orthorhombic κ/ε-Ga2O3 and the impact of rotational domains

Benjamin M. Janzen Orcid Logo, Piero Mazzolini Orcid Logo, Roland Gillen Orcid Logo, Vivien F. S. Peltason Orcid Logo, Linus P. Grote Orcid Logo, Janina Maultzsch Orcid Logo, Roberto Fornari Orcid Logo, Oliver Bierwagen Orcid Logo, Markus R. Wagner Orcid Logo

Journal of Materials Chemistry C, Volume: 9, Issue: 40, Pages: 14175 - 14189

Swansea University Author: Roland Gillen Orcid Logo

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DOI (Published version): 10.1039/d1tc03500b

Abstract

Gallium oxide (Ga2O3) is an ultra-wide bandgap material, which has recently attracted widespread attention for holding promising applications in power electronics and solar blind UV photodetectors, outclassing GaN or SiC in terms of a larger bandgap and higher breakdown voltages. The orthorhombic κ...

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Published in: Journal of Materials Chemistry C
ISSN: 2050-7526 2050-7534
Published: Royal Society of Chemistry (RSC) 2021
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URI: https://cronfa.swan.ac.uk/Record/cronfa66651
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The orthorhombic κ phase (also referred to as ε) has sparked particular interest for offering higher symmetry than β, while featuring ferroelectric behavior paired with a large predicted spontaneous polarization, paving the way to fabricating high-quality two-dimensional electron gases for application in heterostructure field effect transistors. The presently available κ phase samples are characterized by a domain structure, in which orthorhombic domains are rotated 120° against each other within the c-plane forming a pseudo-hexagonal structure, which has previously often been ascribed to ε-Ga2O3 and incorrectly been viewed as this polymorph's true crystal structure. A detailed investigation into the phonon modes of orthorhombic κ-Ga2O3 provides insights into fundamental material properties such as crystal structure and orientation as well as the vibrational symmetries of Raman active modes. We investigate the Raman active phonon modes of an MBE-grown orthorhombic κ-Ga2O3 thin film featuring the domain structure deposited on (0001)-Al2O3 by experiment and theory: Polarized micro-Raman spectroscopy measurements in conjunction with density functional perturbation theory (DFPT) calculations enable the identification of both the frequencies and vibrational symmetries of the Raman active phonons. Presenting comprehensive Raman spectra of the orthorhombic κ phase, the experimental frequencies of more than 90 Raman modes are determined and correlated with the 117 modes predicted by the calculations. Angular-resolved Raman measurements are utilized to provide an experimental verification of phonon mode symmetries. 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spelling v2 66651 2024-06-11 Comprehensive Raman study of orthorhombic κ/ε-Ga2O3 and the impact of rotational domains 8fd99815709ad1e4ae52e27f63257604 0000-0002-7913-0953 Roland Gillen Roland Gillen true false 2024-06-11 ACEM Gallium oxide (Ga2O3) is an ultra-wide bandgap material, which has recently attracted widespread attention for holding promising applications in power electronics and solar blind UV photodetectors, outclassing GaN or SiC in terms of a larger bandgap and higher breakdown voltages. The orthorhombic κ phase (also referred to as ε) has sparked particular interest for offering higher symmetry than β, while featuring ferroelectric behavior paired with a large predicted spontaneous polarization, paving the way to fabricating high-quality two-dimensional electron gases for application in heterostructure field effect transistors. The presently available κ phase samples are characterized by a domain structure, in which orthorhombic domains are rotated 120° against each other within the c-plane forming a pseudo-hexagonal structure, which has previously often been ascribed to ε-Ga2O3 and incorrectly been viewed as this polymorph's true crystal structure. A detailed investigation into the phonon modes of orthorhombic κ-Ga2O3 provides insights into fundamental material properties such as crystal structure and orientation as well as the vibrational symmetries of Raman active modes. We investigate the Raman active phonon modes of an MBE-grown orthorhombic κ-Ga2O3 thin film featuring the domain structure deposited on (0001)-Al2O3 by experiment and theory: Polarized micro-Raman spectroscopy measurements in conjunction with density functional perturbation theory (DFPT) calculations enable the identification of both the frequencies and vibrational symmetries of the Raman active phonons. Presenting comprehensive Raman spectra of the orthorhombic κ phase, the experimental frequencies of more than 90 Raman modes are determined and correlated with the 117 modes predicted by the calculations. Angular-resolved Raman measurements are utilized to provide an experimental verification of phonon mode symmetries. We present an analytical tool to deal with the domain structure and its effect on the obtained Raman spectra. Journal Article Journal of Materials Chemistry C 9 40 14175 14189 Royal Society of Chemistry (RSC) 2050-7526 2050-7534 20 9 2021 2021-09-20 10.1039/d1tc03500b COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University Another institution paid the OA fee We acknowledge funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – project number 446185170. This work was performed in parts in the framework of GraFOx, a Leibniz-ScienceCampus partially funded by the Leibniz association. Computational resources used for the calculations were provided by the HPC of the Regional Computer Centre Erlangen (RRZE). The authors thank Dr Harald Scheel for experimental support. 2024-08-13T11:35:18.4804809 2024-06-11T12:42:09.6426138 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering Benjamin M. Janzen 0000-0002-6091-6761 1 Piero Mazzolini 0000-0003-2092-5265 2 Roland Gillen 0000-0002-7913-0953 3 Vivien F. S. Peltason 0000-0002-6070-7644 4 Linus P. Grote 0000-0003-3463-942x 5 Janina Maultzsch 0000-0002-6088-2442 6 Roberto Fornari 0000-0002-4499-8015 7 Oliver Bierwagen 0000-0002-4746-5660 8 Markus R. Wagner 0000-0002-7367-5629 9 66651__31096__8ba2725b7d4d44fba1e2da82c77f400b.pdf 66651.VoR.pdf 2024-08-13T11:24:31.0248291 Output 6250663 application/pdf Version of Record true This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. true eng http://creativecommons.org/licenses/by-nc/3.0/
title Comprehensive Raman study of orthorhombic κ/ε-Ga2O3 and the impact of rotational domains
spellingShingle Comprehensive Raman study of orthorhombic κ/ε-Ga2O3 and the impact of rotational domains
Roland Gillen
title_short Comprehensive Raman study of orthorhombic κ/ε-Ga2O3 and the impact of rotational domains
title_full Comprehensive Raman study of orthorhombic κ/ε-Ga2O3 and the impact of rotational domains
title_fullStr Comprehensive Raman study of orthorhombic κ/ε-Ga2O3 and the impact of rotational domains
title_full_unstemmed Comprehensive Raman study of orthorhombic κ/ε-Ga2O3 and the impact of rotational domains
title_sort Comprehensive Raman study of orthorhombic κ/ε-Ga2O3 and the impact of rotational domains
author_id_str_mv 8fd99815709ad1e4ae52e27f63257604
author_id_fullname_str_mv 8fd99815709ad1e4ae52e27f63257604_***_Roland Gillen
author Roland Gillen
author2 Benjamin M. Janzen
Piero Mazzolini
Roland Gillen
Vivien F. S. Peltason
Linus P. Grote
Janina Maultzsch
Roberto Fornari
Oliver Bierwagen
Markus R. Wagner
format Journal article
container_title Journal of Materials Chemistry C
container_volume 9
container_issue 40
container_start_page 14175
publishDate 2021
institution Swansea University
issn 2050-7526
2050-7534
doi_str_mv 10.1039/d1tc03500b
publisher Royal Society of Chemistry (RSC)
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering
document_store_str 1
active_str 0
description Gallium oxide (Ga2O3) is an ultra-wide bandgap material, which has recently attracted widespread attention for holding promising applications in power electronics and solar blind UV photodetectors, outclassing GaN or SiC in terms of a larger bandgap and higher breakdown voltages. The orthorhombic κ phase (also referred to as ε) has sparked particular interest for offering higher symmetry than β, while featuring ferroelectric behavior paired with a large predicted spontaneous polarization, paving the way to fabricating high-quality two-dimensional electron gases for application in heterostructure field effect transistors. The presently available κ phase samples are characterized by a domain structure, in which orthorhombic domains are rotated 120° against each other within the c-plane forming a pseudo-hexagonal structure, which has previously often been ascribed to ε-Ga2O3 and incorrectly been viewed as this polymorph's true crystal structure. A detailed investigation into the phonon modes of orthorhombic κ-Ga2O3 provides insights into fundamental material properties such as crystal structure and orientation as well as the vibrational symmetries of Raman active modes. We investigate the Raman active phonon modes of an MBE-grown orthorhombic κ-Ga2O3 thin film featuring the domain structure deposited on (0001)-Al2O3 by experiment and theory: Polarized micro-Raman spectroscopy measurements in conjunction with density functional perturbation theory (DFPT) calculations enable the identification of both the frequencies and vibrational symmetries of the Raman active phonons. Presenting comprehensive Raman spectra of the orthorhombic κ phase, the experimental frequencies of more than 90 Raman modes are determined and correlated with the 117 modes predicted by the calculations. Angular-resolved Raman measurements are utilized to provide an experimental verification of phonon mode symmetries. We present an analytical tool to deal with the domain structure and its effect on the obtained Raman spectra.
published_date 2021-09-20T11:35:20Z
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