Group theory for structural analysis and lattice vibrations in phosphorene systems

J. Ribeiro-Soares, R. M. Almeida, L. G. Cançado, M. S. Dresselhaus, and A. Jorio
Phys. Rev. B 91, 205421 – Published 15 May 2015

Abstract

Group theory analysis for two-dimensional elemental systems related to phosphorene is presented, including (i) graphene, silicene, germanene, and stanene; (ii) their dependence on the number of layers; and (iii) their two possible stacking arrangements. Departing from the most symmetric D6h1 graphene space group, the structures are found to have a group-subgroup relation, and analysis of the irreducible representations of their lattice vibrations makes it possible to distinguish between the different allotropes. The analysis can be used to study the effect of strain, to understand structural phase transitions, to characterize the number of layers, crystallographic orientation, and nonlinear phenomena.

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  • Received 26 August 2014
  • Revised 10 April 2015

DOI:https://doi.org/10.1103/PhysRevB.91.205421

©2015 American Physical Society

Authors & Affiliations

J. Ribeiro-Soares1,2,*, R. M. Almeida2, L. G. Cançado2, M. S. Dresselhaus3,4, and A. Jorio2

  • 1Departamento de Física, Universidade Federal de Lavras, Lavras, MG, 37200-000, Brazil
  • 2Departamento de Física, Universidade Federal de Minas Gerais, Belo Horizonte, MG, 30123-970, Brazil
  • 3Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology (MIT), Cambridge, Massachusetts 02139, USA
  • 4Department of Physics, Massachusetts Institute of Technology (MIT), Cambridge, Massachusetts 02139, USA

  • *Author to whom correspondence should be addressed: jenaina.soares@dfi.ufla.br

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Vol. 91, Iss. 20 — 15 May 2015

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