2005/09/30 by J. P. Hague, P. E. Kornilovitch, A. S. Alexandrov +1 · 49 citations
Materials Science · Mathematics · Physics and Astronomy · #Advanced Condensed Matter Physics #Condensed matter physics #Curse of dimensionality #Effective mass (spring–mass system) #Electron #Ground state #Lattice (music) #Magnetic and transport properties of perovskites and related materials #Mathematics #Monte Carlo method #Phonon #Physics #Physics of Superconductivity and Magnetism #Polaron #Quantum Monte Carlo #Quantum mechanics #cond-mat.str-el #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.73.054303
published in Physical Review B 73(5) (American Physical Society) · 16 pages, 12 figures
arxiv created 2005/11/28 · openalex publication_date 2006/02/16 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We study the effects of lattice type on polaron dynamics using a continuous-time quantum Monte Carlo approach. Holstein and screened Fr"ohlich 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.