Band parameters of phosphorene

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

doi:10.1088/1742-6596/633/1/012042

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 language	English
Article number	012042
Book series	Journal of Physics: Conference Series
Volume	633
Issue number	1
Number of pages	6
ISSN	1742-6596
DOIs	https://doi.org/10.1088/1742-6596/633/1/012042
Publication status	Published - 2015

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Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.

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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.",

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AU - Willatzen, Morten

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PY - 2015

Y1 - 2015

N2 - 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.

AB - 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.

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DO - 10.1088/1742-6596/633/1/012042

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JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

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Band parameters of phosphorene

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