Effects of lattice geometry and interaction range on polaron dynamics

Hague, James; Kornilovitch, P. E.; Alexandrov, A. S. and Samson, J. H. (2006). Effects of lattice geometry and interaction range on polaron dynamics. Physical Review B, 73(5) 054303-1-054303-14.

DOI: https://doi.org/10.1103/PhysRevB.73.054303

Abstract

We study the effects of lattice type on polaron dynamics using a continuous-time quantum Monte Carlo approach. Holstein and screened Fröhlich polarons are simulated on a number of different Bravais lattices. The effective mass, isotope coefficients, ground-state energy and energy spectra, phonon numbers, and density of states are calculated. In addition, the results are compared with weak- and strong-coupling perturbation theory. For the Holstein polaron, it is found that the crossover between weak- and strong-coupling results becomes sharper as the coordination number is increased. In higher dimensions, polarons are much less mobile at strong coupling, with more phonons contributing to the polaron. The total energy decreases monotonically with coupling. Spectral properties of the polaron depend on the lattice type considered, with the dimensionality contributing to the shape and the coordination number to the bandwidth. As the range of the electron-phonon interaction is increased, the coordination number becomes less important, with the dimensionality taking the leading role.

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About

• Item ORO ID
• 12288
• Item Type
• Journal Item
• ISSN
• 1098-0121
• Extra Information
• See also: Erratum: Effects of lattice geometry and interaction range on polaron dynamics [Phys. Rev. B 73, 054303 (2006)]
  J. P. Hague, P. E. Kornilovitch, A. S. Alexandrov et al.
  Phys. Rev. B 75, 059901 (E) (2007)
• Keywords
• Polarons; Monte Carlo methods; Electron-phonon interactions; Crystal structure; Isotopes; Effective mass; Ground states; Total energy; Perturbation theory; Electronic density of states;
• Academic Unit or School
• Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
  Faculty of Science, Technology, Engineering and Mathematics (STEM)
• Research Group
• Physics
• Depositing User
• James Hague