Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/8680
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dc.contributor.authorFaraji, M.-
dc.contributor.authorBafekry, A.-
dc.contributor.authorFadlallah, Mohamed M.-
dc.contributor.authorJappor, H. R.-
dc.contributor.authorGhergherehchi, M.-
dc.contributor.authorNguyen, Chuong V.-
dc.date.accessioned2022-07-30T16:45:48Z-
dc.date.available2022-07-30T16:45:48Z-
dc.date.issued2022-
dc.identifier.citationFaraji, M., Bafekry, A., Fadlallah, M. M., Jappor, H. R., Nguyen, C. V., & Ghergherehchi, M. (2022). Two-dimensional XY monolayers (X= Al, Ga, In; Y= N, P, As) with a double layer hexagonal structure: A first-principles perspective. Applied Surface Science, 590, 152998.en_US
dc.identifier.issn0169-4332-
dc.identifier.issn1873-5584-
dc.identifier.urihttps://doi.org/10.1016/j.apsusc.2022.152998-
dc.identifier.urihttps://hdl.handle.net/20.500.11851/8680-
dc.description.abstractIn this paper, we systematically investigate the structural, mechanical, optical and electronic properties of novel two-dimensional XY (X = Al, Ga, In; Y = N, P, As) monolayers in the double layer hexagonal structure (DLHS) using first-principles calculations. Our calculations show that single-layers of XY are stable, with the exception of GaP monolayer, which is unstable with its phonon spectrum containing negative frequencies. Also, the linear elastic parameters confirm the Born conditions for mechanical stability of XY monolayers and they are brittle structures. Most XY monolayers have indirect semiconductor characteristics with band gaps of 3.54 eV, 1.78 eV, 0.18 eV, 1.68 eV and 1.28 eV for AlN, GaN, InN, AlP, and AlAs monolayers. However the GaAs monolayer has a metallic character. The optical results indicate the InN and AlAs monolayers have ability to absorb the visible light spectra. We expect that our findings will point the way forward for the use of these structures in microelectronics and optoelectronics devices.en_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofApplied Surface Scienceen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDouble layer hexagonal structureen_US
dc.subjectJanus monolayersen_US
dc.subjectElectronic and optical propertiesen_US
dc.subjectFirst-principles studyen_US
dc.subjectOptical-Propertiesen_US
dc.subjectElectronic-Propertiesen_US
dc.subjectInsben_US
dc.titleTwo-dimensional XY monolayers (X = Al, Ga, In; Y = N, P, As) with a double layer hexagonal structure: A first-principles perspectiveen_US
dc.typeArticleen_US
dc.departmentFakülteler, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümüen_US
dc.departmentFaculties, Faculty of Engineering, Department of Material Science and Nanotechnology Engineeringen_US
dc.identifier.volume590en_US
dc.authoridJappor, Hamad Rahman/0000-0002-8885-3985-
dc.authoridBafekry, Asadollah/0000-0002-9297-7382-
dc.identifier.wosWOS:000790010500006en_US
dc.identifier.scopus2-s2.0-85126944803en_US
dc.institutionauthorFaraji, Mehrdad-
dc.identifier.doi10.1016/j.apsusc.2022.152998-
dc.authorwosidJappor, Hamad Rahman/K-6055-2013-
dc.authorscopusid57215436031-
dc.authorscopusid57208817264-
dc.authorscopusid57103855100-
dc.authorscopusid50861445000-
dc.authorscopusid57213860707-
dc.authorscopusid35275008800-
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - İdari Personel ve Öğrencien_US
dc.identifier.scopusqualityQ1-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextnone-
item.fulltextNo Fulltext-
item.openairetypeArticle-
item.cerifentitytypePublications-
item.languageiso639-1en-
Appears in Collections:Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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