宽带隙半导体材料cdm2x4m=ga,al x=s,se光电特性理论研究-theoretical study on photoelectric characteristics of wide-band gap semiconductor materials cdm 2x4 m = ga, al x = s, se.docx

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2018-05-29 发布于上海
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宽带隙半导体材料cdm2x4m=ga,al x=s,se光电特性理论研究-theoretical study on photoelectric characteristics of wide-band gap semiconductor materials cdm 2x4 m = ga, al x = s, se.docx

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宽带隙半导体材料cdm2x4m=ga,al x=s,se光电特性理论研究-theoretical study on photoelectric characteristics of wide-band gap semiconductor materials cdm 2x4 m = ga, al x = s, se

ABSTRACTWiththedevelopmentofscienceandtechnology,thematerialhasbeenconsideredtobetodaysemergingnewtechnologyrevolution，oneoftheimportantpillarofelectronicmaterialsisstriking，greatlypromotedthedevelopmentofmodemscienceandtechnology．Semiconductormaterials，aStherepresentativeofelectronicmaterials，itsadventanddevelopmentunceasinglytopromotetheall—rounddevelopmentofhumaninallfields，broughtalotofconveniencetoPeople’SDailylife．ThevarietyoftheIInIvIsemiconductot,ternarycompoundsemiconductorAB2C4material，sinceithaspervioustolightbandwidth，highluminousperformanceisgood，theintensityofopticalandphotographicfinefeatures，suchasgoodperformanceinelectro-opticdevices，optoelectronicdevices，solarcells，andhasbeenwidelyusedinsuchaspectsasnonlinearopticaldevicesandhasattractedwidespreadattention．ThisarticlewillusethefirstprinciplescalculationmethodbasedondensityfunctionaltheoryofternarysemiconductorsCdM2X4(M=Ga，A1；X=S，Se)forcomparativestudyofthesystem．Weprovidetheoreticalbasisforthepmcticalapplicationofthismaterials，byanalyzingthedifferentcrystallatticestructure，band，thedensityofthestateandtrendoftheopticalpropertiesandpredictingthbopticalpropertiesofanisotropictheory．ResearchresultsshowthatthetemarysemiconductorsCdM2X4(M=Ga，A1；X=S，Se)fourpropertiesofthematerialissimilar,chalcopyritestructurehasdefects，fordirectbandgapsemiconductors．FourtemarybandgapofsemiconductormaterialswithelementXfromthesulfur(S)tOtheselenium(Se)keytograduallydecrease，fromsulfur(S)totheselenium(Se)，features，weakeningthematerialofthebulkmodulusdecreases，andthelatticeconstantincreases，whilethestaticdielectricconstantsandrefractiveindex，indexofrefractionwavehaveredshiftphenomenonatthesametime．111万方数据Opticalpropertiesofenergyinthemiddlearea(4eV～10eV)showedobviousanisotropy,inlessthan4eVlow．energyareaandhigherthanthehighenergyregionof10eVisnotobvious．CdM2X4(M=Ga，A1；2X=S，Se)crystalhasgoodpervioustolightqualityininfraredregion．WealsofoundthatCdMzX4(MGa，A1；X=S，Se)strongestpeaksandabsorptionpeaksofcrystalsarestillintheultrav