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 …

Electron-phonon interactions from first principles

F Giustino - Reviews of Modern Physics, 2017 - APS
This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …

Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors

S Poncé, ER Margine, F Giustino - Physical Review B, 2018 - APS
We probe the accuracy limit of ab initio calculations of carrier mobilities in semiconductors,
within the framework of the Boltzmann transport equation. By focusing on the paradigmatic …

Imaging magnetic polarons in the doped Fermi–Hubbard model

J Koepsell, J Vijayan, P Sompet, F Grusdt, TA Hilker… - Nature, 2019 - nature.com
Polarons—electronic charge carriers 'dressed'by a local polarization of the background
environment—are among the most fundamental quasiparticles in interacting many-body …

High-harmonic spectroscopy probes lattice dynamics

J Zhang, Z Wang, F Lengers, D Wigger, DE Reiter… - Nature …, 2024 - nature.com
The probing of coherent lattice vibrations in solids has conventionally been carried out using
time-resolved transient optical spectroscopy, with which only the relative oscillation …

Mobility of two-dimensional materials from first principles in an accurate and automated framework

T Sohier, D Campi, N Marzari, M Gibertini - Physical Review Materials, 2018 - APS
We present a first-principles approach to compute the transport properties of 2D materials in
an accurate and automated framework. We use density-functional perturbation theory in the …

Ultrafast dynamics of electrons and phonons: from the two-temperature model to the time-dependent Boltzmann equation

F Caruso, D Novko - Advances in Physics: X, 2022 - Taylor & Francis
The advent of pump-probe spectroscopy techniques paved the way to the exploration of
ultrafast dynamics of electrons and phonons in crystalline solids. Following photo-absorption …

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 …

Holstein polaron in a valley-degenerate two-dimensional semiconductor

M Kang, SW Jung, WJ Shin, Y Sohn, SH Ryu, TK Kim… - Nature materials, 2018 - nature.com
Abstract Two-dimensional (2D) crystals have emerged as a class of materials with tunable
carrier density. Carrier do** to 2D semiconductors can be used to modulate many-body …

Phonon self-energy corrections: To screen, or not to screen

J Berges, N Girotto, T Wehling, N Marzari, S Poncé - Physical Review X, 2023 - APS
First-principles calculations of phonons are often based on the adiabatic approximation and
on Brillouin-zone samplings that might not always be sufficient to capture the subtleties of …