No Cover Image

Journal article 120 views 37 downloads

Isotopic study of Raman active phonon modes in β-Ga2O3

Benjamin M. Janzen Orcid Logo, Piero Mazzolini Orcid Logo, Roland Gillen Orcid Logo, Andreas Falkenstein Orcid Logo, Manfred Martin Orcid Logo, Hans Tornatzky Orcid Logo, Janina Maultzsch Orcid Logo, Oliver Bierwagen Orcid Logo, Markus R. Wagner Orcid Logo

Journal of Materials Chemistry C, Volume: 9, Issue: 7, Pages: 2311 - 2320

Swansea University Author: Roland Gillen Orcid Logo

  • 66655.VoR.pdf

    PDF | Version of Record

    This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

    Download (3.78MB)

Check full text

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...

Full description

Published in: Journal of Materials Chemistry C
ISSN: 2050-7526 2050-7534
Published: Royal Society of Chemistry (RSC) 2021
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa66655
Tags: Add Tag
No Tags, Be the first to tag this record!
first_indexed 2024-08-13T15:38:35Z
last_indexed 2024-08-13T15:38:35Z
id cronfa66655
recordtype SURis
fullrecord <?xml version="1.0" encoding="utf-8"?><rfc1807 xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema"><bib-version>v2</bib-version><id>66655</id><entry>2024-06-11</entry><title>Isotopic study of Raman active phonon modes in β-Ga2O3</title><swanseaauthors><author><sid>8fd99815709ad1e4ae52e27f63257604</sid><ORCID>0000-0002-7913-0953</ORCID><firstname>Roland</firstname><surname>Gillen</surname><name>Roland Gillen</name><active>true</active><ethesisStudent>false</ethesisStudent></author></swanseaauthors><date>2024-06-11</date><deptcode>ACEM</deptcode><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 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.</abstract><type>Journal Article</type><journal>Journal of Materials Chemistry C</journal><volume>9</volume><journalNumber>7</journalNumber><paginationStart>2311</paginationStart><paginationEnd>2320</paginationEnd><publisher>Royal Society of Chemistry (RSC)</publisher><placeOfPublication/><isbnPrint/><isbnElectronic/><issnPrint>2050-7526</issnPrint><issnElectronic>2050-7534</issnElectronic><keywords/><publishedDay>11</publishedDay><publishedMonth>1</publishedMonth><publishedYear>2021</publishedYear><publishedDate>2021-01-11</publishedDate><doi>10.1039/d0tc04101g</doi><url/><notes/><college>COLLEGE NANME</college><department>Aerospace, Civil, Electrical, and Mechanical Engineering</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>ACEM</DepartmentCode><institution>Swansea University</institution><apcterm>Another institution paid the OA fee</apcterm><funders>We acknowledge funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – project number 446185170.</funders><projectreference/><lastEdited>2024-08-13T16:41:35.8893974</lastEdited><Created>2024-06-11T12:43:54.8738968</Created><path><level id="1">Faculty of Science and Engineering</level><level id="2">School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering</level></path><authors><author><firstname>Benjamin M.</firstname><surname>Janzen</surname><orcid>0000-0002-6091-6761</orcid><order>1</order></author><author><firstname>Piero</firstname><surname>Mazzolini</surname><orcid>0000-0003-2092-5265</orcid><order>2</order></author><author><firstname>Roland</firstname><surname>Gillen</surname><orcid>0000-0002-7913-0953</orcid><order>3</order></author><author><firstname>Andreas</firstname><surname>Falkenstein</surname><orcid>0000-0002-4992-0823</orcid><order>4</order></author><author><firstname>Manfred</firstname><surname>Martin</surname><orcid>0000-0001-9046-050x</orcid><order>5</order></author><author><firstname>Hans</firstname><surname>Tornatzky</surname><orcid>0000-0002-3153-0501</orcid><order>6</order></author><author><firstname>Janina</firstname><surname>Maultzsch</surname><orcid>0000-0002-6088-2442</orcid><order>7</order></author><author><firstname>Oliver</firstname><surname>Bierwagen</surname><orcid>0000-0002-4746-5660</orcid><order>8</order></author><author><firstname>Markus R.</firstname><surname>Wagner</surname><orcid>0000-0002-7367-5629</orcid><order>9</order></author></authors><documents><document><filename>66655__31101__a53339b8f2374906b68da285d24ad6df.pdf</filename><originalFilename>66655.VoR.pdf</originalFilename><uploaded>2024-08-13T16:39:08.6894635</uploaded><type>Output</type><contentLength>3965207</contentLength><contentType>application/pdf</contentType><version>Version of Record</version><cronfaStatus>true</cronfaStatus><documentNotes>This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</documentNotes><copyrightCorrect>true</copyrightCorrect><language>eng</language><licence>http://creativecommons.org/licenses/by-nc/3.0/</licence></document></documents><OutputDurs/></rfc1807>
spelling 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
container_issue 7
container_start_page 2311
publishDate 2021
institution Swansea University
issn 2050-7526
2050-7534
doi_str_mv 10.1039/d0tc04101g
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 - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
document_store_str 1
active_str 0
description 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
_version_ 1807287527171686400
score 11.037603

Similar Items