July 25, 2024
Somayeh Behzad

Somayeh Behzad

Academic rank: Associate professor
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Education: Ph.D in Physics
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Research

Title
Ab-initio calculationofelectronicstructureandopticalproperties of AB-stackedbilayer α-graphyne
Type Article
Keywords
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.