Related papers: First-principles theory of nonlinear long-range el…
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 show that mismatch of the piezoelectric parameters between layers of multiple-quantum well structures leads to modification of the electron-phonon interaction. In particular, short-wavelength phonons propagating perpendicular to the…
We investigate the interaction of correlated electrons with acoustical phonons using the extended Hubbard-Holstein model in which both, the electron-phonon interaction and the on-site Coulomb repulsion are considered to be strong. The…
Electron-boson coupling is central to a comprehensive understanding of the diverse physical phenomena emerging from many-body interactions. Yet less attention has been paid to how plasmons, collective bosonic modes of electron density…
Interactions between quasiparticles are of fundamental importance and ultimately determine the macroscopic properties of quantum matter. A famous example is the phenomenon of superconductivity, which arises from attractive electron-electron…
Ultrafast laser measurements probe the non-equilibrium dynamics of excited electrons in metals with increasing temporal resolution. Electronic structure calculations can provide a detailed microscopic understanding of hot electron dynamics,…
State-of-the-art model Hamiltonians, like Fr\"ohlich's, or density functional theory approaches to electron-phonon interaction suffer from a severe overscreening error. This is due to the incorrect treatment of the screening of the ionic…
Spin qubits associated with color centers are promising platforms for various quantum technologies. However, to be deployed in robust quantum devices, the variations of their intrinsic properties with the external conditions, and in…
We present a novel approach to calculate the effective exchange interaction parameters based on the realistic electronic structure of correlated magnetic crystals in local approach with the frequency dependent self energy. The analog of…
We use the symmetries of monolayer graphene to write a set of constraints that must be satisfied by any electron-phonon interaction hamiltonian. The explicit solution as a series expansion in the momenta gives the most general,…
Photoemission and phonon spectroscopies have yielded widely varying estimates of the electron-phonon coupling constant \lambda\ on the surfaces of topological insulators, even for a particular material and technique. We connect the results…
Phonon quasi-particles have been monumental in microscopically understanding thermodynamics and transport properties in condensed matter for decades. Phonons have one-to-one correspondence with harmonic eigenstates and their energies are…
The Holstein model often serves as an archetype for electron-phonon interactions and polaron formation in solids. However, precise descriptions of the Holstein polaron are difficult when the phonon frequency is small and the electron-phonon…
The theoretical understanding of emergent phenomena in quantum materials is one of the greatest challenges in condensed matter physics. In contrast to simple materials such as noble metals and semiconductors, macroscopic properties of…
First-principles calculations have become a powerful tool to exclude the Edisonian approach in search of novel 2d materials. However, no universal first-principles criteria to examine the realizability of hypothetical 2d materials have been…
First-principles calculation of nonlinear magneto-optical effects has become an indispensable tool to reveal the geometric and topological nature of electronic states and to understand light-matter interactions. While intriguingly rich…
This paper gives a short overview of the calculation of thermal properties of materials from first principles, using the Quasi-Harmonic Approximation (QHA). We first introduce some of the thermal properties of interest and describe how they…
A combined experimental and computational methodology for interrogating the phonon contribution to polaron formation in real materials is developed. Using LiF as an example, we show that the recent ab-initio theory of Sio et. al [PRL 122,…
Strong interaction between light and matter waves, such as electron beams in electron microscopes, has recently emerged as a new tool for understanding entanglement. Here, we systematically investigate electron-light interactions from first…
We perform ab initio calculations of the coupling between electrons and small-momentum polar-optical phonons in monolayer transition metal dichalcogenides of the 2H type: MoS2, MoSe2, MoTe2, WS2, and WSe2. The so-called Fr\"ohlich…