9781420038903%2Ech8

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1、8RecentTrendsfortheDesignandOptimizationofThermoelectricMaterials—ATheoreticalPerspective8.1Introduction.......................................................................8-18.2FundamentalsofBandTheoryandThermoelectrics.....8-28.3TransportTheoryMethods.........

2、......................................8-48.4PhononGlasses..................................................................8-6Glass-likeThermalConductivity†TheSemiconductorClathrates†Skutterudites†SingleandMultipleBandModelJohnS.Tse8.5NewMaterials..................

3、..................................................8-16UniversityofSaskatchewanLayeredCobaltOxides†QuantumWellsandQuantumDennisD.KlugWires†ComplexChalcogenidesSteacieInstituteforMolecularScience8.6ConcludingRemarks....................................................

4、.....8-248.1IntroductionTheapplicationofrecentadvancesintheoreticalandcomputationalmethodswillundoubtedlyplayasignificantroleinthedesignofnewmaterials.Thisisespeciallytrueformaterialssuchashighlyefficientthermoelectrics.Eventhoughthermoelectriceffectswerediscoveredal

5、mosttwocenturiesago,thereremainmajorchallengestoincreasingtheefficiencyofthermoelectricdevices.Thebasicchallengeinthedevelopmentofnewthermoelectricmaterialsistomaximizethethermoelectricfigure-of-merit,ZT¼sS2T=k,wheresistheelectricalconductivity,kisthethermalconductiv

6、ity,andSistheSeebeckcoefficientorthermopower.Thisdimensionlessquantityprovidesameasureoftheefficiencyorperformanceofathermoelectricmaterial.SincetheoptimizationoftheSeebeckcoefficientforanymaterialwillinvolvetheappropriatemodificationofitselectronicproperties,afundamen

7、talunderstandingoftheelectronicbandstructurewillbeavaluable,ifnotessentialrequirementifthecurrentupperlimitofZTistobeincreasedsignificantly.Theoptimizationofthefigure-of-meritappearstobeachallengingproblemsincethethreepropertiesthatdeterminethisquantityarecloselyconn

8、ected.8-1©2006byTaylor&FrancisGroup,LLC8-2ThermoelectricsHandbook:MacrotoNanoForexample,theratios=kislimitedbytheabilitytoreducethethermalconduct