稀磁半导体材料的局域结构及电子结构的x-ray吸收谱学研究-x - ray absorption spectroscopy study on the local structure and electronic structure of dilute magnetic semiconductor materials.docx

其本身的周围局域结构没有明显的影响，但是深刻影响了基底材料的局域结构。这个结果暗示着向半导体中掺杂过渡金属离子较大的影响了基底材料的电子结构，原子结构。通过DFT计算我们揭示了掺杂可以深刻的改变Fermi面附近的能带结构，主要是Zn-4sp，O-2p与磁性离子的3d轨道的重新杂化。这个结果与BMPs理论较为吻合。本论文第八章研究了两种纳米颗粒体系。在DMS材料中，纳米相的材料往往具有相对于其体相更为优异的性能，例如，利用大的表面-体相原子比，通过表面化学修饰，可以调控材料的性质。在本章中，我们利用XAS方法研究了ZnS，NiO两种纳米颗粒。对于ZnS，我们发现纳米颗粒相对于体相有纤锌矿结构与闪锌矿结构共存的现象存在。对于NiO颗粒，我们用三种不同的表面修饰剂对其进行修饰并利用氧K边XANES谱对其进行研究，结果发现，不同修饰剂不仅可以极大的改变其原子结构，并且可以在Fermi面附近产生新的电子能级，这个结果与NiO是一种强电子关联体系材料有着密切的关系。这些研究结果为纳米DMS材料的应用提供了一种思路。关键词：稀磁半导体，纳米颗粒，X射线吸收谱学，同步辐射。AbstractInthisthesis,firstlywereviewedtheprincipleofXAS,experimentalequipmentanddataanalyzingmethod.SecondlyweintroducedtheapplicationofXAScombinedmultiple-scatteringtheoryonstudyingatomiclocalstructureandelectronicstructureofDilutemagneticsemiconductors(DMSs)system.Inthepastdecade,followingthefirstreportbyOhno,dilutedmagneticsemiconductor(DMS)materialsattractedaconsiderableinterestduetotheirpotentialpromisingapplicationsinspintronicdevices.However,theunderstandingofthisnewclassofmaterialsisarealchallengebecauseoftheiranomalousmagneticbehaviorandtheoccurrenceofroomtemperatureferromagnetism(RTF).Severalmanuscriptsareavailableintheliteratureandsometimecontroversialinterpretationshavebeenproposed.SomecontributionsaddressedtheRTForigintothepresenceofmagneticclustersorsecondaryphases,whileotherassociatedtheobservedRTFtointrinsicpropertiesofthesystems.Atthesametime,aconsensusexistsonthepresenceinthesematerialsofaconventionalsuper-exchangeoradouble-exchangeinteraction,i.e.,amechanismthatdoesnotsupporttheexistenceofalong-rangemagneticorderatconcentrationsofmagneticcationsofafewpercent.Severaltheoreticalframeworkscapabletotreatthisfundamentalaspecthavebeenalsoproposed.Dietletal.calculatedtheCurietemperatureforvariousp-typesemiconductorsbymeansoftheZenermodel.TheysuggestedthatbothZnOandGaNaresuitableDMSmaterialsandtheRTFispossiblyduetotheinterplayofthemagneticiondopingwiththeholecontentinthehostsemiconductor.RTFbehaviorininsulatorscanbealsoexplained,asproposedbyCoeyetal.,viaaferromagneticexchangemec