Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/13596
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dc.contributor.authorAkgenç Hanedar, Berna-
dc.contributor.authorErsan, Fatih-
dc.contributor.authorAltalhi, Tariq-
dc.contributor.authorYağmurcukardeş, Mehmet-
dc.contributor.authorYakobson, Boris-
dc.date.accessioned2023-07-27T19:49:57Z-
dc.date.available2023-07-27T19:49:57Z-
dc.date.issued2023-
dc.identifier.issn0038-1098-
dc.identifier.issn1879-2766-
dc.identifier.urihttps://doi.org/10.1016/j.ssc.2023.115175-
dc.identifier.urihttps://hdl.handle.net/11147/13596-
dc.description.abstractUltra-thin forms of black phosphorus (b-P) have been widely investigated due to its unique properties arising from the in-plane anisotropy in its crystal structure. Recently, two-dimensional (2D) forms of black arsenic (b-As) have also been added to the 2D family. In this study, the thickness-dependent structural, electronic, and piezoelectric properties of layered b-As are investigated by means of ab-initio calculations. The structural optimizations confirm the van der Waals type layered structure for both these structures. In addition, increasing the thickness is shown to result in the decreasing of the band gap arising from the confinement of electrons in the layers. In contrast to the case of b-P, it is revealed that a transition from indirect-to-direct band gap behavior can be found in b-As which can be important for optically identifying the single-layer structure. Moreover, the piezoelectric properties are investigated as a function of the number of layers. It is shown that while a single-layer of b-As does not exhibit piezoelectric features, even in the case of bilayer structures the piezoelectricity is created. Our results revealed the strong in-plane anisotropy in piezoelectric coefficients for the three-layer and thicker structures. We have shown that the out-of-plane piezoelectric properties can be achieved by non-centrosymmetric features in the out-of-plane direction in thicker structures of b-As.en_US
dc.description.sponsorshipComputational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Gride-Infrastructure) and the National Center for High-Performance Computing of Turkey (UHEM) under Grant No. 5011252021. T.A. and B.I.Y. acknowledge the Taif University Research Support Project (TURSPHC2023/1, Saudi Arabia) . B. Akgenc Hanedar acknowledges financial support the BIDEB-TUBITAK under the Project Number 1059B192100863. T.A. and B.I.Y. acknowledge the Taif University Research Support Project (TURSP-HC2023/1, Saudi Arabia) .en_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofSolid State Communicationsen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject2D materialsen_US
dc.subjectElectronic propertiesen_US
dc.subjectPiezoelectricityen_US
dc.subjectDensity functional theoryen_US
dc.subjectBlack arsenicen_US
dc.subjectBlack phosphorusen_US
dc.titleThickness-Dependent Piezoelecticity of Black Arsenic From Few-Layer To Monolayeren_US
dc.typeArticleen_US
dc.institutionauthorYağmurcukardeş, Mehmet-
dc.departmentİzmir Institute of Technology. Photonicsen_US
dc.identifier.volume368en_US
dc.identifier.wosWOS:000999887700001en_US
dc.identifier.scopus2-s2.0-85154558562en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıtr
dc.identifier.doi10.1016/j.ssc.2023.115175-
dc.authorscopusid58209521200-
dc.authorscopusid56631125700-
dc.authorscopusid37066948100-
dc.authorscopusid56862270400-
dc.authorscopusid7005672846-
dc.identifier.wosqualityQ3-
dc.identifier.scopusqualityQ3-
item.grantfulltextembargo_20250101-
item.languageiso639-1en-
item.openairetypeArticle-
item.cerifentitytypePublications-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.fulltextWith Fulltext-
crisitem.author.dept04.04. Department of Photonics-
Appears in Collections:Photonics / Fotonik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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