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1、DiamondandRelatedMaterials12(2003)2178–2185SimulationofH–C–ScontaininggasmixturesrelevanttodiamondchemicalvapourdepositionJ.R.Petherbridge,P.W.May*,D.E.Shallcross,J.N.Harvey,G.M.Fuge,K.N.Rosser,M.N.R.AshfoldSchoolofChemistry,UniversityofBristol,CantocksClose,BristolBS81TS,UKRece
2、ived17June2003;receivedinrevisedform29July2003;accepted29July2003AbstractMolefractionsof24speciespresentwithinx%HS24y1%CHyH2(xs0–1%)and1%CS2yHgasmixtureshavebeencalculated2usingtheCHEMKINcomputerpackageinconjunctionwithamechanismbasedonthecompositeconversion:CH4q2HS22
3、CSq4H.Arrh
4、eniusparametersforeachelementaryreactioninvolvingS-containingspeciesarepresented,alongwith2associatedthermodynamicpropertiesforeachspecies.Molecularbeammassspectrometricmeasurementsofspeciesmolefractionsinmicrowaveactivatedx%HS24y1%CHyH2(xs0–1%)mixturesagreewellwiththemodelcalcu
5、lations,ifweassumea(reasonable)gastemperatureof1630K.Theagreementbetweensimilarmeasurementsofboth0.5%HS24y1%CHyHand21%CS22yHhotfilamentactivatedgasmixturesislessgood,butthecalculationssucceedinreproducingmanyoftheobservedtrendsinspeciesmolefractionwithchangeinfilamenttemperature
6、.2003ElsevierB.V.Allrightsreserved.Keywords:Chemicalvapourdeposition;Sulfurdoping;Gasphasemodelling1.IntroductionSakaguchietal.w8–10xhavereportedthatHSaddition2toa1%CH42yHgasmixtureduringmicrowaveplasmaenhancedCVDleadstogrowthofsemiconducting,Themanyextremephysicalandmechanical
7、propertiesw1,2xofthindiamondfilmsgrownbychemicalvapourhomoepitaxialdiamondfilmsexhibitingn-typebehav-deposition(CVD)havepromptedinterestinsuchfilmsiour.SmallHSadditions2(approx.100ppm)werefoundtoimprovecrystallinity,thoughthistrendwasreversedforuseinelectronicdevices.CVDdiamondf
8、ilmsexhibitingp-typesemiconductorpropertiesareroutinelyuponfurtherincreasesinHSconcentration.Filmgrowth2grownbyadditionofB-containinggasestothestandardratewasalsoobservedtodeclinewithincreasedHS2CVDgasmixture(1%CH42yH)w3,4x.Suchfilmsfindaddition,thoughthequalityofthefilms(asasse
9、ssedviaRamanspectroscopy)wasfoundtoberelatively
