Related papers: Lattice dynamics and electron-phonon coupling calc…
We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the superconductor MgB_2 and the isostructural AlB_2 within the framework of density functional perturbation theory using a mixed-basis…
We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of $\alpha$-MoB$_2$, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis…
The bottomonium spectrum is computed in dynamical 2+1 flavor lattice QCD, using NRQCD for the b quarks. The main calculations in this work are based on gauge field ensembles generated by the RBC and UKQCD collaborations with the Iwasaki…
Metals exhibit nonequilibrium electron and lattice subsystems at transient times following femtosecond laser excitation. In the past four decades, various optical spectroscopy and time-resolved diffraction methods have been used to study…
The electron-phonon coupling in ultrafast heating systems is studied within the framework of Boltzmann transport equation (BTE) with coupled electron and phonon transport. A discrete unified gas kinetic scheme is developed to solve the BTE,…
Starting from a continuum-model description, we develop a microscopic weak-coupling theory for superconductivity in twisted double-bilayer graphene. We study both electron-phonon and entirely electronic pairing mechanisms. In each case, the…
Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…
Solid-state electrolytes (SSEs) require ionic conductivities that are competitive with liquid electrolytes to realize applications in all-solid state batteries. Although numerous materials have been discovered, the underlying mechanisms…
The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory (DFT) total-energy calculations and…
Lattice contribution to the electronic self-energy in complex correlated oxides is a fascinating subject that has lately stimulated lively discussions. Expectations of electron-phonon self-energy effects for simpler materials, such as Pd…
We study, by means of the time-dependent Gutzwiller approximation, the out of equilibrium dynamics of a half-filled Hubbard-Holstein model of correlated electrons interacting with local phonons. Inspired by pump-probe experiments, where…
We study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles molecular dynamics (FPMD) with a colored noise thermostat. In…
The matrix elements of the deformation potential of C$_{70}$ are calculated by means of a simple, yet accurate solution of the electron-phonon coupling problem in fullerenes, based on a parametrization of the ground state electronic density…
Many Lattice QCD observables of phenomenological interest include so-called all-to-all propagators. The computation of these requires prohibitively large computational resources, unless they are estimated stochastically. This is usually…
We investigate the inelastic spin-flip rate for electrons in a quantum dot due to their contact hyperfine interaction with lattice nuclei. In contrast to other works, we obtain a spin-phonon coupling term from this interaction by taking…
The interlayer exchange coupling mediated by valence band electrons in all-semiconductor IV-VI magnetic/nonmagnetic superlattices is studied theoretically. A 3D tight-binding model, accounting for the band and magnetic structure of the…
Low-energy baryon-baryon interactions are calculated in a high-statistics lattice QCD study on a single ensemble of anisotropic clover gauge-field configurations at a pion mass of m_\pi ~ 390 MeV, a spatial volume of L^3 ~ (2.5 fm)^3, and a…
Femtosecond spectroscopy is applied to study transient electronic and lattice processes in bismuth. Components with relaxation times of 1 ps, 7 ps and ~ 1 ns are detected in the photoinduced reflectivity response of the crystal. To…
Controlling energy flows in solids through switchable electron-lattice cooling can grant access to a range of interesting and potentially useful energy transport phenomena. Here we discuss a unique switchable electron-lattice cooling…
We have performed extensive ab initio calculations to investigate phonon dynamics and their possible role in superconductivity in BaFe2As2 and related systems. The calculations are compared to inelastic neutron scattering data that offer…