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dc.contributor.authorYağmurcukardeş, Mehmet
dc.contributor.authorSenger, Ramazan Tuğrul
dc.contributor.authorPeeters, François M.
dc.contributor.authorŞahin, Hasan
dc.date.accessioned2017-06-15T09:15:46Z
dc.date.available2017-06-15T09:15:46Z
dc.date.issued2016-12
dc.identifier.citationYağmurcukardeş, M., Senger, R. T., Peeters, F. M., and Şahin, H. (2016). Mechanical properties of monolayer GaS and GaSe crystals. Physical Review B, 94(24). doi:10.1103/PhysRevB.94.245407en_US
dc.identifier.issn2469-9950
dc.identifier.urihttp://doi.org/10.1103/PhysRevB.94.245407
dc.identifier.urihttp://hdl.handle.net/11147/5775
dc.description.abstractThe mechanical properties of monolayer GaS and GaSe crystals are investigated in terms of their elastic constants: in-plane stiffness (C), Poisson ratio (ν), and ultimate strength (σU) by means of first-principles calculations. The calculated elastic constants are compared with those of graphene and monolayer MoS2. Our results indicate that monolayer GaS is a stiffer material than monolayer GaSe crystals due to the more ionic character of the Ga-S bonds than the Ga-Se bonds. Although their Poisson ratio values are very close to each other, 0.26 and 0.25 for GaS and GaSe, respectively, monolayer GaS is a stronger material than monolayer GaSe due to its slightly higher σU value. However, GaS and GaSe crystals are found to be more ductile and flexible materials than graphene and MoS2. We have also analyzed the band-gap response of GaS and GaSe monolayers to biaxial tensile strain and predicted a semiconductor-metal crossover after 17% and 14% applied strain, respectively, for monolayer GaS and GaSe. In addition, we investigated how the mechanical properties are affected by charging. We found that the flexibility of single layer GaS and GaSe displays a sharp increase under 0.1e/cell charging due to the repulsive interactions between extra charges located on chalcogen atoms. These charging-controllable mechanical properties of single layers of GaS and GaSe can be of potential use for electromechanical applications. © 2016 American Physical Society.en_US
dc.description.sponsorshipThe Science Academy, Turkey under the BAGEP program; TUBITAK (114F397)en_US
dc.language.isoengen_US
dc.publisherAmerican Physical Societyen_US
dc.relationinfo:eu-repo/grantAgreement/TUBITAK/MFAG/114F397en_US
dc.relation.isversionof10.1103/PhysRevB.94.245407en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectGrapheneen_US
dc.subjectGaS crystalsen_US
dc.subjectGaSe crystalsen_US
dc.subjectMonolayersen_US
dc.subjectMechanical propertiesen_US
dc.subjectStrengthen_US
dc.titleMechanical properties of monolayer GaS and GaSe crystalsen_US
dc.typearticleen_US
dc.contributor.authorIDTR130774en_US
dc.contributor.authorIDTR2199en_US
dc.contributor.authorIDTR216960en_US
dc.contributor.iztechauthorYağmurcukardeş, Mehmet
dc.contributor.iztechauthorSenger, Ramazan Tuğrul
dc.contributor.iztechauthorŞahin, Hasan
dc.relation.journalPhysical Review Ben_US
dc.contributor.departmentIzmir Institute of Technology. Photonicsen_US
dc.identifier.volume94en_US
dc.identifier.issue24en_US
dc.identifier.wosWOS:000389503400008
dc.identifier.scopusSCOPUS:2-s2.0-85008675471
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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