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1、PHYSICALREVIEWLETTERSweekendingVOLUME93,NUMBER2119NOVEMBER2004Atomic-ScalePathwayofthePyramid-to-DomeTransitionduringGeGrowthonSi(001)F.Montalenti,1,*P.Raiteri,1D.B.Migas,1H.vonKa¨nel,2A.Rastelli,2,3C.Manzano,3G.Costantini,3U.Denker,3331O.G.Schmidt,K.Kern,andLeoMiglio1I
2、NFMandL-NESS,DipartimentodiScienzadeiMaterialidellaUniversita`degliStudidiMilano-Bicocca,ViaCozzi53,I-20125Milano,Italy2INFMandL-NESS,DipartimentodiFisicadelPolitecnicodiMilano,ViaAnzani52,I-22100,Como,Italy3MaxPlanckInstitutfu¨rFestko¨rperforschung,Heisenbergstrasse1,D
3、-70569Stuttgart,Germany(Received10June2004;published17November2004)Byhighresolutionscanningtunnelingmicroscopy,weinvestigatethemorphologicaltransitionfrompyramidtodomeislandsduringthegrowthofGeonSi(001).Weshowthatpyramidsgrowfromtoptobottomandthat,fromacriticalsizeon,in
4、completefacetsareformed.Wedemonstratethatthebunchingofthestepsdelimitingthesefacetsevolvesintothesteeperdomefacets.BasedonfirstprinciplesandTersoff-potentialcalculations,wedevelopamicroscopicmodelfortheonsetofthemorphologicaltransition,abletoreproducecloselytheexperiment
5、allyobservedbehavior.DOI:10.1103/PhysRevLett.93.216102PACSnumbers:68.55.Ac,68.35.Md,68.37.Ef,81.10.AjThree-dimensionalGeislandscoherentlygrownonthelatticeparameterismorerelaxed.Yet,thishypothesisSi(001)athightemperaturearewellknowntoshowawasbasedonqualitativearguments,w
6、ithnomodeling.bimodalbehavior,withsmall,shallowf105g-facetedpyr-InthisLetter,weusehighresolutionscanningtunnel-amidsandlargerdomes,exhibitingsteeperfacets[1,2].Iningmicroscopy(STM),toinvestigateGeislandsgrownthepastfewyearssomeinterpretationsofthebimodalonSi(001)withtwo
7、differenttechniques.Weshowthatbehaviorhavebeenprovided,mostlyrelyingonthermo-thegrowthproceedsfromtoptobottom,andthatthedynamicarguments.Basedonvolumetricstrainrelief,shapetransitionisaccomplishedbystepbunchingofsurfaceenergies,andedgecontributions[3],oneexpla-incomplet
8、ef105gfacets.Byasuitablemodeling,basednationisthatpyramidsanddomescorrespondtotwoonsemiempiricalTersoff-potent