双轴应变gesi1-xgex价带结构模型及空穴有效质量分析-structural model of biaxial strain gesi 1 - xgex valence band and analysis of effective hole mass.docxVIP

摘要摘要由于电子和空穴迁移率远高于应变Si，且其与Si工艺有良好的兼容性，Ge及应变Ge将成为16nm及更小特征尺寸的金属氧化物半导体场效应晶体管(MOSFET)沟道材料的理想选择。能带结构是应变Ge材料及其器件设计的基础，但目前国内外在这方面的研究比较缺乏。本文基于K.P.微扰法研究应变Ge的价带能带结构、有效质量及态密度。本文采用应变哈密顿，建立了应变Ge/Si1?xGex的形变势模型。从量子力学理论的定态薛定谔方程出发，采用K.P.微扰法，建立了应变Ge的三维价带E(k)-k关系模型。基于所建立的价带E(k)-k关系模型，使用抛物线拟合数值，计算了应变Ge价带带边和子带的空穴有效质量。计算结果表明，应变Ge价带空穴各向异性有效质量随着应变的增大而显著减小，其中重空穴有效质量比弛豫Ge小了近2/3。根据有效质量与载流子迁移率的理论关系，可以推论应变Ge材料的空穴迁移率有很大的提高。本文还用球形等能面近似计算了应变Ge的各向同性有效质量，为今后载流子浓度、迁移率等特性的计算作了理论准备。关键词：双轴应变Ge价带结构空穴有效质量KP微扰AbstractAbstractThisthesisisonthevalancebandstructureofstrainedGefilmgrownontheSi1-xGexbase.ItsknownthatGehashigherelectron,andespeciallyhole,mobilitythanthatofSi.ThatofthestrainedGeisevenhigher.ThismakesGeaperfectmaterialtoreplaceSiwhenMetal-Oxide-SemiconductorField-EffectTransistors(MOSFETs)aresmallerthan16nm.Whatsmore,theGetechnologyishighlycapablewiththecurrentSitechnology,makingGemoreidealachoice.Tocalculateandsimulateintheresearchandthedesignprocess,itneedspreciseenergybandmodels.However,theresearchonthevalencebandofstrainedGeisntcomplete.Inthisthesis,thevalencebandstructureiscalculatedusingtheK.P.method.ThestrainedGefilmisgrowncommensuratelyonapieceofSi1-xGexbase.FirstthestrainHamiltonisfiguredout,thenitisusedinaSchrodingerformulatocalculatetheE(k)expression.Then,theeffectivemassesofbothheavyholesandlightholesarecalculatedwiththehelpofMatlab.Theheavyholesarenearly2/3lighterthanthatofrelaxedGe.Inthiscase,themobilitymaybesignificantlyimproved.Finally,thestatedensityofthestrainedGevalencebandiscalculated,inordertohelpwithfutureresearchesoncarrierconcentrationsandmobilitycalculations.Keywords:biaxialstrainedgermaniumvalancebandstructureholeeffectivemassesK.P.目录目录第一章绪论.....................................................................................................................11.1研究意义.............................................................................................................11.2研究现状..............................................................................................