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 language | English |
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Article number | 012042 |
Book series | Journal of Physics: Conference Series |
Volume | 633 |
Issue number | 1 |
Number of pages | 6 |
ISSN | 1742-6596 |
DOIs | |
Publication status | Published - 2015 |