PtCl絡(luò)合物的開鏈邊界條件和激子.pdf

1、四川師范大學(xué)碩士學(xué)位論文PtCl絡(luò)合物的開鏈邊界條件和激子姓名：李華申請(qǐng)學(xué)位級(jí)別：碩士專業(yè)：理論物理指導(dǎo)教師：劉杰2002.5.1AbstractSelfconsistent—variationgroundstatesofafinite—lengthPtCIcomplexwereobtainedintheframeworkofBaeriswyl—Bishop(BB)modelProperendvalueswerechosenforfix

2、ed—endboundarycondition，andsuitableend—revision—termwasaddedtotheoriginalHamiltonianforfree—endboundaryconditionInthetwocases，thenumericalsolutionsbomgeometricalandelectronicstructuresaresimilartothoseintheBorn—Karmancon

3、ditionrespectivelyNoendcollapses，andnodefectivelevelsinthegapItshowsthattheparameterk7(：18eV／nm)intheend—revision—termischosenappropriatelyAnditisalsofoundthatthegapabsorptionpeakandtheparameterk7areindependentofthelengt

4、hofthePtCIcomplexAselftrappedexcitoninallopenchainwitIlfinitelengthofaPtCIcomplexwasnumericallyinvestigatedTheresultsshowthatthezero—fieldabsorptionpeakoftheexcitonisnear155eVwhichisingoodagreementwitlltherecentdataobser

5、vedbyWadaeta1Inaddition，thebehaviorsofthePtCIexcitoninallapplyingelectrostaticfieldwerenumericallyexploredWecametotheresultsthatelectricfieldhasstrongandinterestingeffectsonthePtCIexcitonNodramaticpolarizationoftheexcito

6、nisseeninweakelectricfieldButinthemoderateelectricfield150kV／cm，thereisasharpchangeintheconfigurationandchargedistributionoftheexcitonietheexcitonisdirectlysplitintoallelectronpolaronandaholepolaronThepolarizationanddiss

7、ociationhappenatasametime，whichdiffersfromthatinconjugatedpolymersAndinthestrongelectricfield350kV／cm，appearstructuralphasetransitionofthechainandluminescencequenchingKeywords：PtCIcomplexopen—chainboundaryconditionexctto