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1、FIGURE8.8CalculatedlongitudinalphonondispersioncurveforpolycrystallinetypeImethanehydrate.Theavoidedcrossingisclearlyshown.FIGURE8.18TwoperspectiveviewsofthecrystalstructureofCsBi4Te6.60NaCoO1+x24x=0.450V/K)x=0.3(mx=0.240x=0.1x=0.030Coefficient2010Seebeck00100200300(a)Te
2、mperature(K)60NaCoO1+x2450x=0.4V/K)x=0.3(mx=0.240x=0.1x=0.030Coefficient2010Seebeck00100200300(b)Temperature(K)FIGURE8.20Thecalculatedthermopowervs.temperatureatdifferentdopinglevelsfor(a)thevirtualcrystalapproximationand(b)therigidbandmodel.Downloadedby[NationalUniversi
3、tyofSingapore]at02:4403September2014FIGURE8.23Theunitcellforadisorderedcomplexchalcogenide.FIGURE8.24SuggestedunitcellmodelsfortheAgPbmSbTe2þmmaterialusedinthetheoreticalcalculations.OnlythePbFCClatticeatomsareshownwithPbatomsblue,Agred,andSbgreen.Downloadedby[NationalUn
4、iversityofSingapore]at02:4403September2014FIGURE12.12PredictedTandVdistributionsalongxinanx–yplanemidwaybetweentheendsinzdirection.MultiplelinesindicatevariationsinTandVinthex–yplane.FIGURE12.13PredictedTandVdistributionsinthemiddlex–yplane.FIGURE12.14Predictedmagnitudeo
5、ftheelectriccurrentinthemiddlex–yplane(top)andinaplanenearthesurfaceexposedtogas(bottom).Downloadedby[NationalUniversityofSingapore]at02:4403September2014FIGURE21.2Electrondensitysurface(calculatedbyMEM)ofZn4Sb3superimposedwiththeresultantatompositionsincludingthreediffe
6、rentZninterstitials.(Source:Reprintedwithpermissionfrom(a)Snyder,G.J.,Christensen,M.,Nishibori,E.,Rabiller,P.,Caillat,T.,andIversen,B.B.,Nat.Mater.,3,458–463,2004;(b)Caglioni,F.,Nishibori,E.,Rabiller,P.,Bertini,L.,Christensen,M.,Snyder,G.J.,Gatti,C.,andIversen,B.B.,Chem.
7、Eur.J.,10,3861,2004.CopyrightNature.)FIGURE32.2CorrespondenceofclathratetypeIIstructuresprojectedalong[100];spacegroupFd3m:(a)hydrateclathrate,(b),“dual”structureanalogMgCu2and(c)intermetallideNaxSi136.Downloadedby[NationalUniversityofSingapore]at02:4403September2014FIGU
8、RE32.3Thevariouspolyhedraasstructuralunitsofclathratehydratestructuretypes;forsymbolsofpolyhedraseetext
