p-K：ZnO薄膜的制備及其電子結(jié)構(gòu)第一性原理研究.pdf

1、西安電子科技大學(xué)博士學(xué)位論文pK：ZnO薄膜的制備及其電子結(jié)構(gòu)第一性原理研究姓名：武軍申請(qǐng)學(xué)位級(jí)別：博士專業(yè)：微電子學(xué)與固體電子學(xué)指導(dǎo)教師：楊銀堂20080401AbstractMAbstractDuetOitsintrinsicdonorpointdefects(oxygenvacancy(Vo)orzincinterstitial(Znl)，forinstance)，zincoxide(ZnO)hasallobstacletoobt

2、ainPtypematerial，whichrestrictsitswideapplicationsinshortwaveoptoelectronicfieldsEitherIorVgroupelementsCanbePtypedopantsofZnOInthispaperoneofIgroupelementspotassium(IOhasbeenchosentoprepareP—ZnOthinfilmsdepositedonsingl

3、ecrystalsiliconorsapphiresubstratesbyradiofrequencymagnetronsputteringtechniqueunderrichoxygenatmosphereWiththehelpofX—raydiffraction，atomforcemicroscopy，X—rayphotoelectronspectroscopyandHallmeasurements，theeffectsofsubs

4、tratetemperature(五)，oxygenpartialpressure(昂)andtypesofsubstratematerialsontheelectricalandstructuralpropertiesofas—grownfilmshavebeeninvestigatedSubsequently，theoptimalpreparationprocesshasbeenachievedResuksindicatethata

5、llasgrownsamplesexhibitPtypeconductivityAsTs=500“C，昂=30％andsapphireisusedassubstrates，theoptimalresisivity，holecarrierconcentrationandholemobilityofas—grownpK：ZnOfilmsare18Qcln892x1017cm3and389cm2／VS，respectivelyFurtherm

6、ore，thesamplepossessesanaveragegrainsizeof13019nlnandsurfaceroughnessof6528nlILItselementcompositionshowshighercontentofoxygenthanthatofzinc，deviatingfromthestoichiometryof1：1hordertorealizetheconductivitymechanismofP—K：

7、ZnOfilmsfurthertheelectronicstructureofpotassium(K)一dopedZnOhasbeeninvestigatedbyfirstprinciplescalculationsbasedondensi巧’functionaltheorybyuseoftheplanewavefunctionpsuedopotentialmethodandlocaldensityapproximationProper

8、tiesofsomedefectsaremainlystudied，includinghydrogeninterstitial㈣)，oxygenvacancy(％)，zincinterstitial(Zni)andzincvacancy(V厶)Resultsrevealthat：(1)KmonodopingCanintroduceashallowacceptor，butincreasethesystemtotalenergysimult

9、aneously；(2)KHcodopedZnOhasalowerenergyandshowsitsstability；(3)eitherVoorZniisanelectronegativecenter，compensatingacceptors，andintroducesashallowlevelof—leVbelowminimumconductionband；(4)ashallowacceptorappearsabovethemax

10、imumvalencebandapproximate05eV，duetothepresenceof％，whichisbeneficialforprovidingactiveholesSuchacomplexas場(chǎng)OHiO一壇，proposedinthispaperfinally，maybeamainsourceofptypeconductivityinK：ZnOKeywords：zincoxidethinrdmsPtyperadiofr