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1、Temperature-driventransitionfromtheWignerCrystaltotheBond-Charge-DensityWaveintheQuasi-One-DimensionalQuarter-FilledbandR.T.Clay,1R.P.Hardikar,1andS.Mazumdar212DepartmentofPhysicsandAstronomyandHPCCenterforComputationalSciences,MississippiStateUniversity,MississippiStateMS397622De
2、partmentofPhysics,UniversityofArizonaTucson,AZ85721(Dated:February1,2008)1ItisknownthatwithintheinteractingelectronmodelHamiltonianfortheone-dimensional-4filledband,thesingletgroundstateisaWignercrystalonlyifthenearestneighborelectron-electronrepulsionislargerthanacriticalvalue.Wes
3、howthatthiscriticalnearestneighborCoulombinteractionisdifferentforeachspinsubspace,withthecriticalvaluedecreasingwithincreasingspin.Asaconsequence,withtheloweringoftemperature,therecanoccuratransitionfromaWignercrystalcharge-orderedstatetoaspin-PeierlsstatethatisaBond-Charge-Densit
4、yWavewithchargeoccupanciesdifferentfromtheWignercrystal.Thistransitionispossiblebecause1spinexcitationsfromthespin-Peierlsstateinthe-filledbandarenecessarilyaccompaniedby41changesinsitechargedensities.Weapplyourtheorytothe-filledbandquasi-one-dimensional4organiccharge-transfersolidsi
5、ngeneralandto2:1tetramethyltetrathiafulvalene(TMTTF)andtetramethyltetraselenafulvalene(TMTSF)cationicsaltsinparticular.WebelievethatmanyrecentexperimentsstronglyindicatetheWignercrystaltoBond-Charge-DensityWavetransitioninseveralmembersoftheTMTTFfamily.Weexplaintheoccurrenceoftwod
6、ifferentantiferromagneticphasesbutasinglespin-Peierlsstateinthegenericphasediagramforthe2:1cationicsolids.TheantiferromagneticphasescanhaveeithertheWignercrystalortheBond-Charge-Spin-DensityWavechargeoccupancies.Thespin-PeierlsstateisalwaysaBond-Charge-DensityWave.PACSnumbers:71.30
7、.+h,71.45.Lr,74.70.KnI.INTRODUCTIONT4kF4k1010FSpatialbrokensymmetriesinthequasi-one-dimensional(quasi-1D)1-filledorganiccharge-4transfersolids(CTS)havebeenofstrongexperimental1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17andTemperaturetheoretical18,19,20,21,22,23,24,25,26interest.Thebro
8、-T2kFkensymmetrystatesincludechar