Electronic structures of new tunnel barrier spinel MgAl2O4:first-principles calculations-中国期刊网

摘要 TheelectronicstructuresofspinelMgAl2O4andMgOtunnelbarriermaterialswereinvestigatedusingfirst-principlesdensityfunctionaltheorycalculations.OurresultsshowthatsimilarelectronicstructuresarefoundfortheMgAl2O4andMgOtunnelingbarriers.ThecalculateddirectenergygapsattheΓ-pointareabout5.10eVforMgAl2O4and4.81eVforMgO,respectively.BecauseofthesimilarfeatureinbandstructuresfromΓhigh-symmetrypointtoFpoint(△band),thecoherenttunnelingeffectmightbeexpectedtoappearinMgAl2O4-basedMTJslikeinMgO-basedMTJs.ThesmalldifferenceofthesurfacefreeenergiesofFe(2.9J.m-2)andMgAl2O4(2.27J·m-2)onthe{100}orientation,andthesmallerlatticemismatchbetweenMgAl2O4andferromagneticelectrodesthanthatbetweenMgOandferromagneticelectrodes,thespinelMgAl2O4cansubstituteMgOtofabricatethecoherenttunnelingandchemicallystablemagnetictunneljunctionstructures,whichwillbeappliedinthenextgenerationreadheadsorspintronicdevices.

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Electronic structures of new tunnel barrier spinel MgAl2O4:first-principles calculations

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Electronic structures of new tunnel barrier spinel MgAl2O4:first-principles calculations

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