An MD Study of the Temperature Effect on H Interacting with SiC (100)

(整期优先)网络出版时间:2012-12-22
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Moleculardynamicssimulationswereperformedtostudytheinteractionbetweenatomichydrogenandsiliconcarbide.Inthepresentstudy,wefocusontheeffectofthesurfacetemperatureonHinteractingwithsiliconcarbide.ThesimulationresultsshowthattheretentionofHatomsinthesampledecreaseslinearlywithincreasingsurfacetemperature.ThedepthprofileanalysisshowsthatthesampleismodifiedbyHbombardment,andthedensityofHatomsisgreaterthanthoseofSiandCatomsneartheinterfaceregionbetweentheH-containingregionandthebulk.However,nearthesurfaceregionthedensitiesofH,SiandCatomsarealmostequivalent.Inthemodifiedlayer,thebondsconsistofSi-CandSi-HandC-H.ThefractionofSi-Cbondsisthegreatest.OnlyafewC-Hbondsarepresent.