Effective Hamiltonians for phosphorene and silicene

L. C. Lew Yan Voon, A. Lopez-Bezanilla, J. Wang, Y. Zhang, Morten Willatzen

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Abstract

We derived the effective Hamiltonians for silicene and phosphorene with strain, electric field andmagnetic field using the method of invariants. Our paper extends the work of Geissler et al 2013 (NewJ. Phys. 15 085030) on silicene, and Li and Appelbaum 2014 (Phys. Rev. B 90, 115439) on phosphorene.Our Hamiltonians are compared to an equivalent one for graphene. For silicene, the expressionfor band warping is obtained analytically and found to be of different order than for graphene. Weprove that a uniaxial strain does not open a gap, resolving contradictory numerical results in the literature.For phosphorene, it is shown that the bands near the Brillouin zone center only have terms ineven powers of the wave vector. We predict that the energies change quadratically in the presence of aperpendicular external electric field but linearly in a perpendicular magnetic field, as opposed to thosefor silicene which vary linearly in both cases. Preliminary ab initio calculations for the intrinsic bandstructures have been carried out in order to evaluate some of the k · p parameters.
Original languageEnglish
Article number025004
JournalNew Journal of Physics
Volume17
Number of pages10
ISSN1367-2630
DOIs
Publication statusPublished - 2015

Bibliographical note

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Keywords

  • Silicene
  • Phosphorene
  • Two-dimensional material
  • k.p
  • Method of invariant
  • Group theory
  • Band structure

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