Calculation of the Spontaneous Polarization and the Dielectric Constant as a Function of Temperature for英文文献资料.docVIP

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Calculation of the Spontaneous Polarization and the Dielectric Constant as a Function of Temperature for英文文献资料.doc

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Calculation of the Spontaneous Polarization and the Dielectric Constant as a Function of Temperature for英文文献资料

HindawiPublishingCorporation AdvancesinCondensedMatterPhysics Volume2012,ArticleID259712,5pages doi:10.1155/2012/259712 ResearchArticle CalculationoftheSpontaneousPolarizationandtheDielectric ConstantasaFunctionofTemperatureforKH2PO4 HamitYurtsevenandSemaS?en DepartmentofPhysics,MiddleEastTechnicalUniversity,06531Ankara,Turkey CorrespondenceshouldbeaddressedtoHamitYurtseven,hamit@.tr Received13March2012;Revised23August2012;Accepted28August2012 AcademicEditor:BiljanaStojanovic Copyright?2012H.YurtsevenandS.S?en.ThisisanopenaccessarticledistributedundertheCreativeCommonsAttribution License,whichpermitsunrestricteduse,distribution,andreproductioninanymedium,providedtheoriginalworkisproperly cited. ThetemperaturedependenceofthespontaneouspolarizationPiscalculatedintheferroelectricphase(TTC) ofKH2PO4(KDP) atatmosphericpressure(TC=122K).Also,thedielectricconstantεiscalculatedatvarioustemperaturesintheparaelectricphase (T TC)ofKDPatatmosphericpressure.ForthiscalculationofPandε,by?ttingtheobservedRamanfrequenciesofthesoft mode,themicroscopicparametersofthepuretunnellingmodelareobtained.Inthismodel,theproton-latticeinteractionisnot consideredandthecollectiveprotonmodeisidenti?edwiththesoft-moderesponseofthesystem.Ourcalculationsshowthatthe spontaneouspolarizationdecreasescontinuouslyintheferroelectricphaseasapproachingthetransitiontemperatureTC .Also, thedielectricconstantdecreaseswithincreasingtemperatureanditdivergesinthevicinityofthetransitiontemperature(TC = 122K)forKDPaccordingtotheCurie-Weisslaw. 1.Introduction studiedbyKobayashi[6]inthecoupledproton-optic-mode model.Inthepuretunnellingmodel,ithasbeenshownthat the collective proton-proton tunnelling mode represents a soft mode [4], whereas in the coupled-mode model the soft mode is the lower frequency branch of the coupled system[6].Thesoftmodehasbeenobservedexperimentally in the Raman spectra of KDP [7–9]. At high pressures, the soft mode has also been observed experimentally in the ferroelectric phase of KDP [