Million-Atom Pseudopotential Calculation of Gamma-X Mixing in GaAs/AlAs Superlattices and Quantum Dots

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    Abstract

    We have developed a 'linear combination of bulk bands' method that permits atomistic, pseudopotential electronic structure calculations for .apprx.10(sup6) atom nanostructures. Application to (GaAs)n/A1As)n (001) superlattices (SL's) reveals even-odd oscillations in the ..Gamma..-X coupling magnitude Vrx(n), which vanishes for n = odd, even for abrupt and segregated SL's, respectively.Surprisingly, in contrast with recent expectations, OD quantum dots are found here to have a smaller ..Gamma..-X coupling than equivalent 2D SL's. Our analysis shows that for large quantum dots this is largely due to the existence of level repulsion from many X states.
    Original languageAmerican English
    Pages (from-to)2819-2822
    Number of pages4
    JournalPhysical Review Letters
    Volume78
    Issue number14
    DOIs
    StatePublished - 1997

    NREL Publication Number

    • NREL/JA-450-23341

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