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Isotopic study of Raman active phonon modes in β-Ga2O3
Journal of Materials Chemistry C, Volume: 9, Issue: 7, Pages: 2311 - 2320
Swansea University Author:
Roland Gillen
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DOI (Published version): 10.1039/d0tc04101g
Abstract
Holding promising applications in power electronics, the ultra-wide band gap material gallium oxide has emerged as a vital alternative to materials like GaN and SiC. The detailed study of phonon modes in β-Ga2O3 provides insights into fundamental material properties such as crystal structure and ori...
Published in: | Journal of Materials Chemistry C |
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ISSN: | 2050-7526 2050-7534 |
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Royal Society of Chemistry (RSC)
2021
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We investigate the Raman active phonon modes of β-Ga2O3 in two different oxygen isotope compositions (16O,18O) by experiment and theory: By carrying out polarized micro-Raman spectroscopy measurements on the (010) and ([2 with combining macron]01) planes, we determine the frequencies of all 15 Raman active phonons for both isotopologues. The measured frequencies are compared with the results of density functional perturbation theory (DFPT) calculations. In both cases, we observe a shift of Raman frequencies towards lower energies upon substitution of 16O with 18O. By quantifying the relative frequency shifts of the individual Raman modes, we identify the atomistic origin of all modes (Ga–Ga, Ga–O or O–O) and present the first experimental confirmation of the theoretically calculated energy contributions of O lattice sites to Raman modes. The DFPT results enable the identification of Raman modes that are dominated by the different, inequivalent O- or Ga-atoms of the unit cell. We find that oxygen substitution on the OIII site leads to an elevated relative mode frequency shift compared to OI and OII sites. 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v2 66655 2024-06-11 Isotopic study of Raman active phonon modes in β-Ga2O3 8fd99815709ad1e4ae52e27f63257604 0000-0002-7913-0953 Roland Gillen Roland Gillen true false 2024-06-11 ACEM Holding promising applications in power electronics, the ultra-wide band gap material gallium oxide has emerged as a vital alternative to materials like GaN and SiC. The detailed study of phonon modes in β-Ga2O3 provides insights into fundamental material properties such as crystal structure and orientation and can contribute to the identification of dopants and point defects. We investigate the Raman active phonon modes of β-Ga2O3 in two different oxygen isotope compositions (16O,18O) by experiment and theory: By carrying out polarized micro-Raman spectroscopy measurements on the (010) and ([2 with combining macron]01) planes, we determine the frequencies of all 15 Raman active phonons for both isotopologues. The measured frequencies are compared with the results of density functional perturbation theory (DFPT) calculations. In both cases, we observe a shift of Raman frequencies towards lower energies upon substitution of 16O with 18O. By quantifying the relative frequency shifts of the individual Raman modes, we identify the atomistic origin of all modes (Ga–Ga, Ga–O or O–O) and present the first experimental confirmation of the theoretically calculated energy contributions of O lattice sites to Raman modes. The DFPT results enable the identification of Raman modes that are dominated by the different, inequivalent O- or Ga-atoms of the unit cell. We find that oxygen substitution on the OIII site leads to an elevated relative mode frequency shift compared to OI and OII sites. This study presents a blueprint for the future identification of different point defects in Ga2O3 by Raman spectroscopy. Journal Article Journal of Materials Chemistry C 9 7 2311 2320 Royal Society of Chemistry (RSC) 2050-7526 2050-7534 11 1 2021 2021-01-11 10.1039/d0tc04101g 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. 2024-08-13T16:41:35.8893974 2024-06-11T12:43:54.8738968 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Benjamin M. Janzen 0000-0002-6091-6761 1 Piero Mazzolini 0000-0003-2092-5265 2 Roland Gillen 0000-0002-7913-0953 3 Andreas Falkenstein 0000-0002-4992-0823 4 Manfred Martin 0000-0001-9046-050x 5 Hans Tornatzky 0000-0002-3153-0501 6 Janina Maultzsch 0000-0002-6088-2442 7 Oliver Bierwagen 0000-0002-4746-5660 8 Markus R. Wagner 0000-0002-7367-5629 9 66655__31101__a53339b8f2374906b68da285d24ad6df.pdf 66655.VoR.pdf 2024-08-13T16:39:08.6894635 Output 3965207 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 |
Isotopic study of Raman active phonon modes in β-Ga2O3 |
spellingShingle |
Isotopic study of Raman active phonon modes in β-Ga2O3 Roland Gillen |
title_short |
Isotopic study of Raman active phonon modes in β-Ga2O3 |
title_full |
Isotopic study of Raman active phonon modes in β-Ga2O3 |
title_fullStr |
Isotopic study of Raman active phonon modes in β-Ga2O3 |
title_full_unstemmed |
Isotopic study of Raman active phonon modes in β-Ga2O3 |
title_sort |
Isotopic study of Raman active phonon modes in β-Ga2O3 |
author_id_str_mv |
8fd99815709ad1e4ae52e27f63257604 |
author_id_fullname_str_mv |
8fd99815709ad1e4ae52e27f63257604_***_Roland Gillen |
author |
Roland Gillen |
author2 |
Benjamin M. Janzen Piero Mazzolini Roland Gillen Andreas Falkenstein Manfred Martin Hans Tornatzky Janina Maultzsch Oliver Bierwagen Markus R. Wagner |
format |
Journal article |
container_title |
Journal of Materials Chemistry C |
container_volume |
9 |
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7 |
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2311 |
publishDate |
2021 |
institution |
Swansea University |
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2050-7526 2050-7534 |
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10.1039/d0tc04101g |
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Royal Society of Chemistry (RSC) |
college_str |
Faculty of Science and Engineering |
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Faculty of Science and Engineering |
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School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering |
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Holding promising applications in power electronics, the ultra-wide band gap material gallium oxide has emerged as a vital alternative to materials like GaN and SiC. The detailed study of phonon modes in β-Ga2O3 provides insights into fundamental material properties such as crystal structure and orientation and can contribute to the identification of dopants and point defects. We investigate the Raman active phonon modes of β-Ga2O3 in two different oxygen isotope compositions (16O,18O) by experiment and theory: By carrying out polarized micro-Raman spectroscopy measurements on the (010) and ([2 with combining macron]01) planes, we determine the frequencies of all 15 Raman active phonons for both isotopologues. The measured frequencies are compared with the results of density functional perturbation theory (DFPT) calculations. In both cases, we observe a shift of Raman frequencies towards lower energies upon substitution of 16O with 18O. By quantifying the relative frequency shifts of the individual Raman modes, we identify the atomistic origin of all modes (Ga–Ga, Ga–O or O–O) and present the first experimental confirmation of the theoretically calculated energy contributions of O lattice sites to Raman modes. The DFPT results enable the identification of Raman modes that are dominated by the different, inequivalent O- or Ga-atoms of the unit cell. We find that oxygen substitution on the OIII site leads to an elevated relative mode frequency shift compared to OI and OII sites. This study presents a blueprint for the future identification of different point defects in Ga2O3 by Raman spectroscopy. |
published_date |
2021-01-11T16:41:37Z |
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1807287527171686400 |
score |
11.021648 |