Band structure calculation of GaSe-based nanostructures using empirical pseudopotential method

摘要

InthispaperwepresenttheresultsofbandstructurecomputersimulationofGaSe-basednanostructuresusingtheempiricalpseudopotentialmethod.Calculationswereperformedusingaspeciallydevelopedsoftwarethatallowsperformingsimulationsusingclustercomputing.Applicationofthismethodsignificantlyreducesthedemandsoncomputingresourcescomparedtotraditionalapproachesbasedonab-initiotechniquesandprovidesreceivingtheadequatecomparableresults.Theuseofclustercomputingallowstoobtaininformationforstructuresthatrequireanexplicitaccountofasignificantnumberofatoms,suchasquantumdotsandquantumpillars...