Published February 2015 | Version v1
Journal article

Effective Hamiltonians for phosphorene and silicene

  • 1. School of Science and Mathematics, The Citadel, Charleston, SC (United States)
  • 2. Argonne National Laboratory, Lomont, IL (United States)
  • 3. Department of Electrical and Computer Engineering, University of North Carolina, Charlotte, NC (United States)
  • 4. Department of Photonics Engineering, Technical University of Denmark, Lyngby (Denmark)

Description

We derived the effective Hamiltonians for silicene and phosphorene with strain, electric field and magnetic field using the method of invariants. Our paper extends the work of Geissler et al 2013 (New J. 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 expression for band warping is obtained analytically and found to be of different order than for graphene. We prove 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 in even powers of the wave vector. We predict that the energies change quadratically in the presence of a perpendicular external electric field but linearly in a perpendicular magnetic field, as opposed to those for silicene which vary linearly in both cases. Preliminary ab initio calculations for the intrinsic band structures have been carried out in order to evaluate some of the k⋅p parameters. (paper)

Availability note (English)

Available from http://dx.doi.org/10.1088/1367-2630/17/2/025004

Additional details

Publishing Information

Journal Title
New Journal of Physics
Journal Volume
17
Journal Issue
2
Journal Page Range
[10 p.]
ISSN
1367-2630

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
46073145
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
BRILLOUIN ZONES; COMPARATIVE EVALUATIONS; ELECTRIC FIELDS; GRAPHENE; HAMILTONIANS; MAGNETIC FIELDS; SILICENE; STRAINS; VECTORS
Descriptors DEC
CARBON; ELEMENTS; EVALUATION; MATHEMATICAL OPERATORS; NONMETALS; QUANTUM OPERATORS; SEMIMETALS; SILICON; TENSORS; ZONES