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Somayeh Behzad

Somayeh Behzad

Academic rank: Associate Professor
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Education: PhD.
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Faculty: Basic and Applied Sciences
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Research

Title
Ab-initio calculationofelectronicstructureandopticalproperties of AB-stackedbilayer α-graphyne
Type
JournalPaper
Keywords
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Year
2016
Journal PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
DOI
Researchers Somayeh Behzad

Abstract

Monolayer α-graphyneisanewtwo-dimensionalcarbonallotropewithmanyspecialfeatures.Inthis worktheelectronicpropertiesofAA-andAB stackedbilayersofthismaterialandthentheoptical properties arestudied,using first principleplanewavemethod.TheelectronicspectrumhastwoDirac cones forAAstackedbilayer α-graphyne.ForAB-stackedbilayer,theinterlayerinteractionchangesthe linear bandsintoparabolicbands.TheopticalspectraofthemoststableAB stackedbilayercloselyre- semble tothatofthemonolayer,exceptforsmallshiftsofpeakpositionsandincreasingoftheirintensity. For AB-stackedbilayer,apronouncedpeakhasbeenfoundatlowenergiesundertheperpendicular polarization. ThispeakcanbeclearlyascribedtothetransitionsattheDiracpointasaresultofthesmall degeneracyliftinthebandstructure.