Investigation of anisotropic mechanical, electronic, and charge carrier transport properties of germanium-pnictogen monolayers

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buir.contributor.authorAbboud, Mohammad
buir.contributor.authorÖzbey, Doğukan Hazar
buir.contributor.authorDurgun, Engin
buir.contributor.orcidAbboud, Mohammad|0000-0002-6077-8231
buir.contributor.orcidÖzbey, Doğukan Hazar|0000-0003-0560-5060
buir.contributor.orcidDurgun, Engin|0000-0002-0639-5862
dc.citation.epage10en_US
dc.citation.issueNumber18en_US
dc.citation.spage1en_US
dc.citation.volumeNumber55en_US
dc.contributor.authorAbboud, Mohammad
dc.contributor.authorÖzbey, Doğukan Hazar
dc.contributor.authorKılıç, M. E.
dc.contributor.authorDurgun, Engin
dc.date.accessioned2023-02-23T14:18:53Z
dc.date.available2023-02-23T14:18:53Z
dc.date.issued2022-02-04
dc.departmentInstitute of Materials Science and Nanotechnology (UNAM)en_US
dc.description.abstractRecently, novel two-dimensional (2D) GeP and GeAs systems have been fabricated by mechanical exfoliation and utilized in various applications. These developments have brought the 2D germanium-pnictogens, C2/m-GeX (X = N, P, As, Sb, and Bi) structures into the limelight. In this study, we systematically investigate the structural, mechanical, electronic, and charge carrier transport properties of GeX monolayers by using first-principles methods. Our results show that the considered systems are dynamically stable and possess anisotropic physical properties. Examined structures are found to be flexible, and their mechanical strength and stiffness decrease down the group-V, in line with the trends of the bond strength, cohesive energy, charge transfer, and electron localization function. Additionally, the zigzag in-plane direction is mechanically superior to the armchair direction. The electronic band structure calculations based on HSE06 hybrid functional with the inclusion of spin–orbit coupling indicate that GeX monolayers are either direct or quasi-direct semiconductors with band gaps lying within the infrared and visible spectrum. The estimated charge carrier mobilities are highly anisotropic and also differ significantly depending on the structure and carrier type. These unique properties render GeX monolayers as suitable 2D materials for flexible nanoelectronic applications.en_US
dc.identifier.doi10.1088/1361-6463/ac4cf9en_US
dc.identifier.eissn1361-6463
dc.identifier.issn0022-3727
dc.identifier.urihttp://hdl.handle.net/11693/111646
dc.language.isoEnglishen_US
dc.publisherInstitute of Physics Publishing Ltd.en_US
dc.relation.isversionofhttps://doi.org/10.1088/1361-6463/ac4cf9en_US
dc.source.titleJournal of Physics D: Applied Physicsen_US
dc.subjectTwo-dimensional materialsen_US
dc.subjectAb initio calculationsen_US
dc.subjectCharge carrier transporten_US
dc.subjectGermanium-pnictogensen_US
dc.titleInvestigation of anisotropic mechanical, electronic, and charge carrier transport properties of germanium-pnictogen monolayersen_US
dc.typeArticleen_US

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