Dynamics of the phase-change material GeTe across the structural phase transition-中国期刊网

摘要 ResultsofinelasticneutronscatteringexperinientsandabinitiomoleculardynamicssimulationsforGeTe一theparentcompoundofphase-changematerialsarereported.TheinelasticneutronspectraofGeTepowdersampleshavebeendeterminedinthetemperaturerangeextendingfrom300to700K.Thephononpeaksundergothermalshiftsresultingfromanharmoniceffectsbeingweakerforacousticthanopticmodes.AsmallconcentrationoffreechargecarriesarisingfromthepresenceofGe-vacancieswasfoundnottoaffectsignificantlytheneutronweightedphonondensitiesofstatesofGeTe.Thespectralpatternchangesqualitativelyacrossthestructuralphasetransition,butthelocalstructureofGeTeremainshardlyaffected,asconfirmedbytheanalysisoftemperaturedependenceofthepairdistributionfunctionobtainedfromabinitiomoleculardynamicsinvestigations.Thepresenttheoreticalstudiessupportinawideextentourexperimentalobservationsandalsothoseprovidedbylocalprobemethods.

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Dynamics of the phase-change material GeTe across the structural phase transition

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Dynamics of the phase-change material GeTe across the structural phase transition

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