Polarons in materials
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 …
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 …
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
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 …
within the framework of the Boltzmann transport equation. By focusing on the paradigmatic …
Imaging magnetic polarons in the doped Fermi–Hubbard model
Polarons—electronic charge carriers 'dressed'by a local polarization of the background
environment—are among the most fundamental quasiparticles in interacting many-body …
environment—are among the most fundamental quasiparticles in interacting many-body …
Unified approach to polarons and phonon-induced band structure renormalization
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 …
based on the perturbative Allen-Heine theory and its many-body generalizations. These …
Mobility of two-dimensional materials from first principles in an accurate and automated framework
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 …
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
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 …
ultrafast dynamics of electrons and phonons in crystalline solids. Following photo-absorption …
Ab initio self-consistent many-body theory of polarons at all couplings
We present a theoretical framework to describe polarons from first principles within a many-
body Green's function formalism. Starting from a general electron-phonon Hamiltonian, we …
body Green's function formalism. Starting from a general electron-phonon Hamiltonian, we …
Polarons from first principles, without supercells
We develop a formalism and a computational method to study polarons in insulators and
semiconductors from first principles. Unlike in standard calculations requiring large …
semiconductors from first principles. Unlike in standard calculations requiring large …
Holstein polaron in a valley-degenerate two-dimensional semiconductor
Abstract Two-dimensional (2D) crystals have emerged as a class of materials with tunable
carrier density. Carrier doping to 2D semiconductors can be used to modulate many-body …
carrier density. Carrier doping to 2D semiconductors can be used to modulate many-body …