Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/8814
Full metadata record
DC FieldValueLanguage
dc.contributor.authorSevim, Koray-
dc.contributor.authorSevinçli, Haldun-
dc.date.accessioned2020-07-18T08:31:27Z-
dc.date.available2020-07-18T08:31:27Z-
dc.date.issued2020-
dc.identifier.issn0021-8979-
dc.identifier.issn1089-7550-
dc.identifier.urihttps://doi.org/10.1063/5.0004373-
dc.identifier.urihttps://hdl.handle.net/11147/8814-
dc.description.abstractThe newly synthesized two-dimensional polyaniline (C3N) is structurally similar to graphene and has interesting electronic, magnetic, optical, and thermal properties. Motivated by the fact that point defects in graphene give rise to interesting features, like magnetization in an all carbon material, we perform density functional theory calculations to investigate vacancy and Stone-Wales type point defects in monolayer C3N. We compare and contrast the structural, electronic, and magnetic properties of these defects with those in graphene. While monovacancies and Stone-Wales defects of C3N result in reconstructions similar to those in graphene, divacancies display dissimilar geometrical features. Different from graphene, all vacancies in C3N have metallic character because of altered stoichiometry; those that have low-coordinated atoms have finite magnetic moments. We further investigate the robustness of the reconstructed structures and the changes in the magnetic moments by applying tensile and compressive biaxial strain. We find that, with the advantage of finite bandgap, point defects in C3N are qualified as good candidates for future spintronics applications.en_US
dc.language.isoenen_US
dc.publisherAmerican Institute of Physicsen_US
dc.relation.ispartofJournal of Applied Physicsen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.titleStructural, electronic, and magnetic properties of point defects in polyaniline (C3N) and graphene monolayers: A comparative studyen_US
dc.typeArticleen_US
dc.authorid0000-0002-1896-2588-
dc.institutionauthorSevim, Koray-
dc.institutionauthorSevinçli, Haldun-
dc.departmentIzmir Institute of Technology. Physicsen_US
dc.departmentIzmir Institute of Technology. Materials Science and Engineeringen_US
dc.identifier.volume127en_US
dc.identifier.issue19en_US
dc.identifier.wosWOS:000536195000001en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1063/5.0004373-
dc.relation.doi10.1063/5.0004373en_US
dc.coverage.doi10.1063/5.0004373en_US
dc.identifier.scopusqualityQ1-
item.cerifentitytypePublications-
item.openairetypeArticle-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextopen-
item.fulltextWith Fulltext-
crisitem.author.dept04.05. Department of Pyhsics-
crisitem.author.dept03.09. Department of Materials Science and Engineering-
Appears in Collections:Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
Physics / Fizik
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
Files in This Item:
File SizeFormat 
5.0004373.pdf5.49 MBAdobe PDFView/Open
Show simple item record

CORE Recommender

WEB OF SCIENCETM
Citations

5
checked on Dec 24, 2022

Page view(s)

650
checked on Jan 30, 2023

Download(s)

16
checked on Jan 30, 2023

Google ScholarTM

Check

Altmetric


Items in GCRIS Repository are protected by copyright, with all rights reserved, unless otherwise indicated.