The effectofgrowthconditions,pointdefectsandhydrogen on theelectronicstructureandpropertiesofp-type(Al,N) codopedZnO
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Date
2015
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Elsevier
Abstract
The effectsofpointdefects,hydrogen,andgrowthconditionsontheelectronicstructure
and propertiesofthe(Al,N)codopedp-typeZnOhavebeeninvestigatedusingthefirst
principlesmethod.TheobtainedresultsshowedthattheAlZn–NO–VZn complexisa
shallowacceptorthatcanplayanimportantroleinachievingthep-typeconductivityin
the (Al,N)codopedZnOfilms.Ourresultsshowedalsothattheelectricalconductivitytype
in the(Al,N)codopedZnOfilmsstronglydependsonthedonor/acceptorconcentrations
ratio. ThecodopedZnOfilmspreparedunderbothZn-richandO-richgrowthconditions
withadonors/acceptorsratioof1:2haveap-typeconductivity,whilethosepreparedwith
a ratioof1:1cannotbep-typeunlessiftheyarepreparedunderO-richconditions.The
achievedp-typequalitydependsalsoontheusednitrogendopingsource.Toprepare
p-typeZnOfilmofhighqualityusingthe(Al,N)codopingmethod,theuseofNOorNO2 is
recommended.Thepresenceofdonordefectssuchasoxygenvacanciesandhydrogenwill
significantlyaffecttheelectronicpropertiesofthe(Al,N)codopedZnOfilms,andifthe
concentrationofthesedefectsinthesampleishighenough,thematerialcanbeeasily
convertedton-type.
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Keywords
ZnO, Hydrogen, First-principles, p-Type, Vacancy