Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/11678
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dc.contributor.authorFaraji,M.-
dc.contributor.authorYalameha,S.-
dc.contributor.authorHosseine,M.-
dc.contributor.authorBafekry,A.-
dc.date.accessioned2024-07-24T11:56:55Z-
dc.date.available2024-07-24T11:56:55Z-
dc.date.issued2024-
dc.identifier.issn2513-0390-
dc.identifier.urihttps://doi.org/10.1002/adts.202400383-
dc.identifier.urihttps://hdl.handle.net/20.500.11851/11678-
dc.description.abstractIn this study, first-principles calculations are used to systematically study the structural, mechanical, and optical properties of the honeycomb AuTe monolayer, as well as the influence of layered structures on their stability and electronic properties. Additionally, the effect of alkali metal atoms decorating AuTe-X (X = Li, Na, K) and related structural, electronic, optical, and topological insulator properties, along with the biaxial strain on the lithium-decorated AuTe-Li monolayer are investigated. The AuTe monolayer shows metallic characteristics, and when alkali metal atoms are decorated onto it, the resulting structures remain dynamically stable. Notably, the introduction of Li, Na, and K atoms induces bandgap opening in the decorated Li and Na monolayers near the Fermi level, causing metal-to-narrow bandgap semiconductor and Dirac semi-metal transitions. Conversely, the metallic nature of the decorated AuTe-K monolayer is retained. The emergence of a bandgap near the Fermi level, caused by alkali metal decoration, triggers a topological phase transition in AuTe-Li, AuTe-Na, and AuTe-K monolayers. Optical analyses reveal that AuTe-K decorated structure enhances light absorption in the visible spectrum. Consequently, the findings provide insights into the decoration of these two-dimensional material monolayers, potentially advancing research and motivating the production of such monolayers for current nanodevice applications. © 2024 Wiley-VCH GmbH.en_US
dc.language.isoenen_US
dc.publisherJohn Wiley and Sons Incen_US
dc.relation.ispartofAdvanced Theory and Simulationsen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAlkali metal decorationen_US
dc.subjectDNLFsen_US
dc.subjectHoneycomb AuTe monolayeren_US
dc.subjectTopological insulatoren_US
dc.titleInvestigating the Stable Structures and Topological Insulator Characteristics of Honeycomb Aute Monolayer Through Decorating With Alkali Metal Atoms, as Well as the Effects of Strain and Layering: a First-Principle Studyen_US
dc.typeArticleen_US
dc.departmentTOBB ETÜen_US
dc.identifier.wosWOS:001270707100001en_US
dc.identifier.scopus2-s2.0-85198700973en_US
dc.identifier.doi10.1002/adts.202400383-
dc.authorscopusid57215436031-
dc.authorscopusid57200987765-
dc.authorscopusid59145015900-
dc.authorscopusid57208817264-
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.scopusqualityQ1-
item.openairetypeArticle-
item.languageiso639-1en-
item.grantfulltextnone-
item.fulltextNo Fulltext-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
Appears in Collections:Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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