Band parameters of phosphorene

L. C. Lew Yan Voon, J. Wang, Y. Zhang, Morten Willatzen

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    Abstract

    Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory are computed using a first-principles theory based upon the generalized-gradient approximation to the density-functional theory. These parameters and Hamiltonian will be useful for modeling physical properties of phosphorene.
    Original languageEnglish
    Article number012042
    Book seriesJournal of Physics: Conference Series
    Volume633
    Issue number1
    Number of pages6
    ISSN1742-6596
    DOIs
    Publication statusPublished - 2015

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