Polarons in materials

C Franchini, M Reticcioli, M Setvin… - Nature Reviews Materials, 2021 - nature.com
Polarons are quasiparticles that easily form in polarizable materials due to the coupling of
excess electrons or holes with ionic vibrations. These quasiparticles manifest themselves in …

[HTML][HTML] Progress on stochastic analytic continuation of quantum Monte Carlo data

H Shao, AW Sandvik - Physics Reports, 2023 - Elsevier
We report multipronged progress on the stochastic averaging approach to numerical
analytic continuation of imaginary-time correlation functions computed by quantum Monte …

Solutions of the two-dimensional Hubbard model: benchmarks and results from a wide range of numerical algorithms

JPF LeBlanc, AE Antipov, F Becca, IW Bulik, GKL Chan… - Physical Review X, 2015 - APS
Numerical results for ground-state and excited-state properties (energies, double
occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a …

[HTML][HTML] Electronic density response of warm dense matter

T Dornheim, ZA Moldabekov, K Ramakrishna… - Physics of …, 2023 - pubs.aip.org
Matter at extreme temperatures and pressures—commonly known as warm dense matter
(WDM)—is ubiquitous throughout our Universe and occurs in astrophysical objects such as …

Unified approach to polarons and phonon-induced band structure renormalization

J Lafuente-Bartolome, C Lian, WH Sio, IG Gurtubay… - Physical Review Letters, 2022 - APS
Ab initio calculations of the phonon-induced band structure renormalization are currently
based on the perturbative Allen-Heine theory and its many-body generalizations. These …

Nevanlinna analytical continuation

J Fei, CN Yeh, E Gull - Physical Review Letters, 2021 - APS
Simulations of finite temperature quantum systems provide imaginary frequency Green's
functions that correspond one to one to experimentally measurable real-frequency spectral …

Tunable Polaronic Conduction in Anatase

S Moser, L Moreschini, J Jaćimović, OS Barišić… - Physical review …, 2013 - APS
Oxygen vacancies created in anatase TiO 2 by UV photons (80–130 eV) provide an effective
electron-do** mechanism and induce a hitherto unobserved dispersive metallic state …

Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap

A Miglio, V Brousseau-Couture, E Godbout… - npj Computational …, 2020 - nature.com
Electronic and optical properties of materials are affected by atomic motion through the
electron–phonon interaction: not only band gaps change with temperature, but even at …

Fröhlich polaron and bipolaron: recent developments

JT Devreese, AS Alexandrov - Reports on Progress in Physics, 2009 - iopscience.iop.org
It is remarkable how the Fröhlich polaron, one of the simplest examples of a Quantum Field
Theoretical problem, as it basically consists of a single fermion interacting with a scalar Bose …

Worm algorithm and diagrammatic Monte Carlo: A new approach to continuous-space path integral Monte Carlo simulations

M Boninsegni, NV Prokof'Ev, BV Svistunov - Physical Review E—Statistical …, 2006 - APS
A detailed description is provided of a new worm algorithm, enabling the accurate
computation of thermodynamic properties of quantum many-body systems in continuous …