Related papers: Exciton-Phonon Interaction and Relaxation Times fr…
We present a first-principles framework to investigate the electron scattering channels and transport properties for polar material by combining the exact solution of linearized electron-phonon (e-ph) Boltzmann transport equation in its…
Excitons, electron-hole pairs bound by the Coulomb potential, are fundamental quasiparticles of coherent light-matter interaction energizing processes from photosynthesis to optoelectronics. Excitons are observed in semiconductors, and…
We compute the transient dynamics of phonons in contact with high energy "hot" charge carriers in 12 polar and non-polar semiconductors, using a first-principles Boltzmann transport framework. For most materials, we find that the decay in…
We develop an ab initio framework that captures the impact of electron-electron and electron-hole interactions on phonon properties. This enables the inclusion of excitonic effects in the optical phonon dispersions and lifetimes of…
Recently, it has been demonstrated that the absorption of moderately doped two-dimensional semiconductors can be described in terms of exciton-polarons. In this scenario, attractive and repulsive polaron branches are formed due to…
Magnetic materials are crucial for manipulating electron spin and magnetic fields, enabling applications in data storage, spintronics, charge transport, and energy conversion, while also providing insight into fundamental quantum phenomena.…
We present a computational protocol, based on density matrix perturbation theory, to obtain non-adiabatic, frequency-dependent electron-phonon self-energies for molecules and solids. Our approach enables the evaluation of electron-phonon…
While polarons --- charges bound to a lattice deformation induced by electron-phonon coupling --- are primary photoexcitations at room temperature in bulk metal-halide hybrid organic-inorganic perovskites (HOIP), excitons --- Coulomb-bound…
We combine femtosecond electron diffuse scattering experiments and first-principles calculations of the coupled electron-phonon dynamics to provide a detailed momentum-resolved picture of the ultrafast lattice thermalization in a thin film…
The coupling between lattice vibration quanta and valence electrons can induce charge density modulations and decisively influence the transport properties of materials, e.g. leading to conventional superconductivity. In high critical…
Due to the dispersion of optical phonons, long range electron-phonon correlations renormalize downwards the coupling strength in the Holstein model. We evaluate the size of this effect both in a linear chain and in a square lattice for a…
We probe acoustic phonon mediated relaxation between tunnel coupled exciton states in an individual quantum dot molecule in which the inter-dot quantum coupling and energy separation between exciton states is continuously tuned using static…
We report a computational theoretical investigation of electron spin-flip scattering induced by the electron-phonon interaction in the transition-metal ferromagnets bcc Fe, fcc Co and fcc Ni. The Elliott-Yafet electron-phonon spin-flip…
A system of several Wannier-Mott excitons interacting with phonons in a bulk material is considered. We show that strong exciton-phonon coupling causes the formation of a coherent two-exciton state -- the exciton pair. Unlike the…
We formulate and apply a theory of electron-phonon interactions for the surface state of a strong topological insulator. Phonons are modelled using an isotropic elastic continuum theory with stress-free boundary conditions and interact with…
This paper addresses the first principles description of coherent phonons in systems subjected to optical excitations and/or doping. We reformulate the first-principles Ehrenfest equation (fpEE) [Phys. Rev. X {\bf 13}, 031026 (2023)] in…
The correct treatment of the close-to-boson character of excitons is known to be a major problem. In a previous work, we have proposed a ``commutation technique'' to include this close-to-boson character in their interactions. We here…
We develop an approximation-free Diagrammatic Monte Carlo technique to study fermionic particles interacting with each other simultaneously through both an attractive Coulomb potential and bosonic excitations of the underlying medium.…
In the past five years enormous progress has been made in the ab initio calculations of the optical response of electrons in semiconductors. The calculations include the Coulomb interaction between the excited electron and the hole left…
We develop a method for calculating the electron-phonon vertex in polar semiconductors and insulators from first principles. The present formalism generalizes the Fr\"ohlich vertex to the case of anisotropic materials and multiple phonon…