摘要
AnewlayeredCu-basedoxychalcogenideBa3Fe2O5Cu2S2hasbeensynthesizedanditsmagneticandelectronicpropertieswererevealed.Ba3Fe2O5Cu2S2isbuiltupbyalternativelystacking[Cu2S2]2-layersandironperovskiteoxide[（FeO2）（BaO）（FeO2）]2-layersalongthecaxisthatareseparatedbybariumionswithFe3+fivefoldcoordinatedbyasquare-pyramidalarrangementofoxygen.Fromthebondvalencearguments,weinferredthatinlayeredCuCh-based（Ch=S,Se,Te）compoundsthe+3cationinperovskiteoxidesheetprefersasquarepyramidalsite,whilethelowervalencecationprefersthesquareplanarsites.Thestudiesonsusceptibility,transport,andopticalreflectivityindicatethatBa3Fe2O5Cu2S2isanantiferromagneticsemiconductorwithaNe′eltemperatureof121Kandanopticalbandgapof1.03eV.Themeasurementofheatcapacityfrom10Ktoroomtemperatureshowsnoanomalyat121K.TheDebyetemperatureisdeterminedtobe113K.TheoreticalcalculationsindicatethattheconductionbandminimumispredominantlycontributedbyO2pand3dstatesofFeionsthatantiferromagneticallyarrangedinFeO2layers.TheFe3dstatesarelocatedatlowerenergyandresultinanarrowbandgapincomparisonwiththatoftheisostructuralSr3Sc2O5Cu2S2.
出版日期
2016年02月12日（中国Betway体育网页登陆平台首次上网日期，不代表论文的发表时间）
