Strain Engineering to Release Trapped Hole Carriers in p-Type Haeckelite GaN

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dc.contributor.authorBae, Soungminko
dc.contributor.authorKang, Yoon-Guko
dc.contributor.authorIchihashi, Kodaiko
dc.contributor.authorKhazaei, Mohammadko
dc.contributor.authorSwamy, Vargheseko
dc.contributor.authorHan, Myung Joonko
dc.contributor.authorChang, Kee Jooko
dc.contributor.authorShudo, Ken-ichiko
dc.contributor.authorRaebiger, Hannesko
dc.date.accessioned2022-02-18T06:42:26Z-
dc.date.available2022-02-18T06:42:26Z-
dc.date.created2022-02-06-
dc.date.created2022-02-06-
dc.date.created2022-02-06-
dc.date.created2022-02-06-
dc.date.issued2021-11-
dc.identifier.citationACS APPLIED ELECTRONIC MATERIALS, v.3, no.12, pp.5257 - 5264-
dc.identifier.issn2637-6113-
dc.identifier.urihttp://hdl.handle.net/10203/292286-
dc.description.abstractThe gallium nitride haeckelite (4|8-GaN) phase is an attractive material for a two-dimensional (2D) light-emitting diode (LED); however, its p-type doping is still challenging due to hole carrier trapping. Our density functional theory calculations suggest strain engineering as a route to release trapped hole carriers. We show that Mg and Be impurities in 4|8-GaN have multifarious hole states, including symmetry-broken polaronic (trapped) and delocalized (extended) states, whose detrapping energies are estimated to be 33.4 and 263.3 meV for Mg and Be impurities, respectively. The hole states trapped by a Mg impurity can be, however, detrapped by applying a moderate tensile strain around 2% perpendicular to the 4|8 plane, which would critically enhance p-type dopability. We further show that the photoluminescence (PL) spectrum of a Mg impurity can be tuned by the lattice strain, which enables efficient control for light emission of 4|8-GaN. Our findings pave the way to design an atomically thin blue LED based on 4|8-GaN.-
dc.languageEnglish-
dc.publisherAMER CHEMICAL SOC-
dc.titleStrain Engineering to Release Trapped Hole Carriers in p-Type Haeckelite GaN-
dc.typeArticle-
dc.identifier.wosid000756999800009-
dc.identifier.scopusid2-s2.0-85120337555-
dc.type.rimsART-
dc.citation.volume3-
dc.citation.issue12-
dc.citation.beginningpage5257-
dc.citation.endingpage5264-
dc.citation.publicationnameACS APPLIED ELECTRONIC MATERIALS-
dc.identifier.doi10.1021/acsaelm.1c00765-
dc.contributor.localauthorHan, Myung Joon-
dc.contributor.localauthorChang, Kee Joo-
dc.contributor.nonIdAuthorBae, Soungmin-
dc.contributor.nonIdAuthorIchihashi, Kodai-
dc.contributor.nonIdAuthorKhazaei, Mohammad-
dc.contributor.nonIdAuthorSwamy, Varghese-
dc.contributor.nonIdAuthorShudo, Ken-ichi-
dc.contributor.nonIdAuthorRaebiger, Hannes-
dc.description.isOpenAccessN-
dc.type.journalArticleArticle-
dc.subject.keywordAuthorgallium nitridep-type dopingstrain controllight-emitting diodeab initio calculation-
dc.subject.keywordPlusINITIO MOLECULAR-DYNAMICSTOTAL-ENERGY CALCULATIONSLIGHT-EMITTING-DIODESMACROSCOPIC POLARIZATIONNANOWIRESCONSTANTSDEFECTSEPITAXY-
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