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In this paper we develop a semi-analytical perturbation-theory approach to the calculation of the energy levels (binding energies) and wave functions of excitons in phosphorene. Our method gives both the exciton wave function in real and…

Mesoscale and Nanoscale Physics · Physics 2020-01-14 J. C. G. Henriques , N. M. R. Peres

The interaction between electrons and lattice vibrations determines key physical properties of materials, including their electrical and heat transport, excited electron dynamics, phase transitions, and superconductivity. We present a new…

Materials Science · Physics 2018-07-04 Luis A. Agapito , Marco Bernardi

Describing electron-phonon interactions in a solid requires knowledge of the electron-phonon matrix elements in the Hamiltonian. State-of-the-art first-principles calculations for the electron-phonon interaction are limited to the…

We determined electronic relaxation times via pump-probe optical spectroscopy using sub-15 fs pulses for the normal state of two different cuprate superconductors.We show that the primary relaxation process is the electron-phonon…

Excitons are neutral excitations that are composed of electrons and holes bound together by their attractive Coulomb interaction. The electron and the hole forming the exciton also interact with the underlying atomic lattice, and this…

Materials Science · Physics 2024-01-18 Zhenbang Dai , Chao Lian , Jon Lafuente-Bartolome , Feliciano Giustino

Excitons are two-particle correlated bound states that are formed due to Coulomb interaction between single-particle holes and electrons. In the solid-state, cooperative interactions with surrounding quasiparticles can strongly tailor the…

Excitons are compound particles formed from an electron and a hole in semiconductors. The impact of this substructure on the phonon-exciton interaction is described by a closed system of microscopic scattering equations. To calculate the…

Mesoscale and Nanoscale Physics · Physics 2024-04-08 Manuel Katzer , Malte Selig , Andreas Knorr

Electron-electron ($e$-$e$) and electron-phonon ($e$-ph) interactions are challenging to describe in correlated materials, where their joint effects govern unconventional transport, phase transitions, and superconductivity. Here we combine…

Materials Science · Physics 2024-01-05 David J. Abramovitch , Jin-Jian Zhou , Jernej Mravlje , Antoine Georges , Marco Bernardi

Electron-phonon (e-ph) interactions are usually treated in the lowest order of perturbation theory. Here we derive next-to-leading order e-ph interactions, and compute from first principles the associated two-phonon e-ph scattering rates.…

Mesoscale and Nanoscale Physics · Physics 2020-10-06 Nien-En Lee , Jin-Jian Zhou , Hsiao-Yi Chen , Marco Bernardi

Exciton-phonon interactions play a central role in defining the optical response of hexagonal boron nitride (hBN), yet their quantitative determination has remained incomplete. Here, we reveal the Fr\"ohlich-type exciton-phonon coupling in…

Mesoscale and Nanoscale Physics · Physics 2026-05-21 Ioannis Chatzakis , Timur Abdilov , Elliot Walker , Jaime Freitas , Song Liu , James H. Edgar

Tailoring the properties of correlated oxides is accomplished by chemical doping, pressure, temperature or magnetic field. Photoexcitation is a valid alternative to reach out-of-equilibrium states otherwise inaccessible. Here, we…

Excitons in the weakly interacting regime can be well-described by many-body perturbation theories such as the Bethe-Salpeter equation formalism. However, for materials such as transition metal dichalcogenides moir\'e heterostructures under…

Materials Science · Physics 2026-03-16 Fangzhou Zhao , Carlos Mejuto-Zaera , Angel Rubio , Vojtěch Vlček

A short overview of theoretical models for the description of the relaxation processes in metals excited by a short laser pulse is presented. The main effort is given to description of different processes which are taking place after…

Strongly Correlated Electrons · Physics 2020-05-20 V. V. Kabanov

Interactions between electrons and lattice vibrations are responsible for a wide range of material properties and applications. Recently, there has been considerable interest in the development of resonant inelastic x-ray scattering (RIXS)…

Understanding how photoexcited electron dynamics depend on electron-electron (e-e) and electron-phonon (e-p) interaction strengths is important for many fields, e.g. ultrafast magnetism, photocatalysis, plasmonics, and others. Here, we…

Materials Science · Physics 2020-10-23 Richard Wilson , Sinisa Coh

Exciton-phonon coupling (ExPC) is crucial for energy relaxation in semiconductors, yet the first-principles calculation of such coupling remains challenging, especially for low-dimensional systems. Here, an accurate algorithm for…

Materials Science · Physics 2024-07-22 Xiao-Wei Zhang , Kaichen Xie , En-Ge Wang , Ting Cao , Xin-Zheng Li

First-principles calculations combining density functional theory and many-body perturbation theory can provide microscopic insight into the dynamics of electrons and phonons in materials. We review this theoretical and computational…

Materials Science · Physics 2016-11-23 Marco Bernardi

We study the electron and phonon thermalization in simple metals excited by a laser pulse. The thermalization is investigated numerically by solving the Boltzmann transport equation taking into account all the relevant scattering mechanism:…

Materials Science · Physics 2018-02-28 Shota Ono

The ab initio Bethe-Salpeter equation (BSE) approach, an established method for the study of excitons in materials, is typically solved in a limit where only static screening from electrons is captured. Here, we generalize this framework to…

Materials Science · Physics 2021-08-10 Marina R. Filip , Jonah B. Haber , Jeffrey B. Neaton

First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e-ph) interactions being a prime example. However, these techniques use large matrices encoding the…

Materials Science · Physics 2025-03-11 Yao Luo , Dhruv Desai , Benjamin K. Chang , Jinsoo Park , Marco Bernardi