Peculiar piezoelectric properties of soft two-dimensional materials

dc.citation.epage13953en_US
dc.citation.issueNumber26en_US
dc.citation.spage13948en_US
dc.citation.volumeNumber120en_US
dc.contributor.authorSevik, C.en_US
dc.contributor.authorÇakır, D.en_US
dc.contributor.authorGülseren, O.en_US
dc.contributor.authorPeeters, F. M.en_US
dc.date.accessioned2018-04-12T10:51:33Z
dc.date.available2018-04-12T10:51:33Z
dc.date.issued2016-06en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractGroup II-VI semiconductor honeycomb monolayers have a noncentrosymmetric crystal structure and therefore are expected to be important for nano piezoelectric device applications. This motivated us to perform first-principles calculations based on density functional theory to unveil the piezoelectric properties (i.e., piezoelectric stress (e11) and piezoelectric strain (d11) coefficients) of these monolayer materials with chemical formula MX (where M = Be, Mg, Ca, Sr, Ba, Zr, Cd and X = S, Se, Te). We found that these two-dimensional materials have peculiar piezoelectric properties with d11 coefficients 1 order of magnitude larger than those of commercially utilized bulk materials. A clear trend in their piezoelectric properties emerges, which originates mainly from their mechanical properties. We establish a simple correlation between the piezoelectric strain coefficients and the physical properties, as the natural elemental polarizabilities, the Bader charges, and lattice constants of the individual M/X atoms and MX monolayers.en_US
dc.identifier.doi10.1021/acs.jpcc.6b03543en_US
dc.identifier.issn1932-7447
dc.identifier.urihttp://hdl.handle.net/11693/36738
dc.language.isoEnglishen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.isversionofhttps://doi.org/10.1021/acs.jpcc.6b03543en_US
dc.source.titleJournal of Physical Chemistry Cen_US
dc.subjectBariumen_US
dc.subjectBerylliumen_US
dc.subjectCalculationsen_US
dc.subjectCrystal structureen_US
dc.subjectDensity functional theoryen_US
dc.subjectLattice constantsen_US
dc.subjectMagnesiumen_US
dc.subjectMonolayersen_US
dc.subjectPiezoelectric transducersen_US
dc.subjectSemiconducting selenium compoundsen_US
dc.subjectChemical formulaeen_US
dc.subjectFirst-principles calculationen_US
dc.subjectNon-centrosymmetric crystalsen_US
dc.subjectPiezoelectric propertyen_US
dc.subjectPiezoelectric strainen_US
dc.subjectPiezoelectric strain coefficientsen_US
dc.subjectPolarizabilitiesen_US
dc.subjectTwo-dimensional materialsen_US
dc.subjectPiezoelectricityen_US
dc.titlePeculiar piezoelectric properties of soft two-dimensional materialsen_US
dc.typeArticleen_US
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