Related papers: Boosting the efficiency of ab initio electron-phon…
The adiabatic Born-Oppenheimer approximation is considered to be a robust approach that very rarely breaks down. Consequently, it is predominantly utilized to address various electron-phonon properties in condensed matter physics. By…
First-principles calculations of the electronic structure and vibrational modes, in a system of graphene bilayers and trilayers intercalated with alkaline earth atoms, are resented. It is found that, in similarity to the case of…
We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…
We show that hole states in recently discovered single-layer InSe are strongly renormalized by the coupling with acoustic phonons. The coupling is enhanced significantly at moderate hole doping ($\sim$10$^{13}$ cm$^{-2}$) due to hexagonal…
Plasmons and polar phonons are elementary electrodynamic excitations of matter. In 2d and at long wavelengths, they couple to light and act as the system polaritons. They also dictate the scattering of charged carriers. Van der Waals…
We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of…
The effect of the exchange-correlation potential in ab initio electron transport calculations is investigated by constructing optimized effective potentials (OEP) using different energy functionals or the electron density from second-order…
In this work we study the properties of a two-subband quasi-two-dimensional electron system in a strong magnetic field when the electron filling factor is equal to four. When the cyclotron energy is close to the intersubband splitting the…
Optimizing the cooperativity between two distinct particles is an important feature of quantum information processing. Of particular interest is the coupling between spin and phonon, which allows for integrated long range communication…
We report on resonance Raman spectroscopy measurements with excitation photon energy down to 1.16 eV on graphene, to study how low-energy carriers interact with lattice vibrations. Thanks to the excitation energy close to the Dirac point at…
The interaction of electrons with crystal lattice vibrations (phonons) and collective charge-density fluctuations (plasmons) influences profoundly the spectral properties of solids revealed by photoemission spectroscopy experiments.…
The critical temperature of high-$T_c$ superconductors is determined, at least in part, by the electron-phonon coupling. We include the effect of an exchange interaction between the electrons and calculate the renormalization of the bare…
Atomic undercoordination, charge injection, mechanical and thermal activation mediate the properties of a material intrinsically by bond relaxation from one equilibrium to another while the phonon spectrometrics probes the ever-unexpected…
We report charge and heat transport studies in copper-intercalated topological insulator Bi$_2$Se$_3$ hybrid devices. Measured conductivity shows impact of quantum corrections, electron-electron and electron-phonon interactions. Our shot…
We study the spectral and transport properties of a Mott insulator driven by a static electric field into a non-equilibrium steady state. For the dissipation, we consider two mechanisms: Wide-band fermion reservoirs and phonons included…
We investigate full quantum mechanical evolution of two electrons nonlinearly coupled to quantum phonons and simulate the dynamical response of the system subject to a short spatially uniform optical pulse that couples to dipole-active…
We develop a unified treatment of the piesoelectric coupling between two-dimensional electrons and bulk phonons in both cases of zero and strong magnetic fields, the latter corresponding to even denominator filling fractions. In contrast to…
We present an efficient {\it ab initio} approach for the study of magnetic transport properties based on the Boltzmann equation with the Wannier interpolation scheme. Within the relaxation time approximation, band-resolved electric…
A description of electron-phonon coupling at a defect or impurity is essential to characterizing and harnessing its functionality for a particular application. Electron-phonon coupling limits the amount of useful light produced by a…
Crystal phase engineering gives access to new types of superlattices where, rather than different materials, different crystal phases of the same material are juxtaposed. Here, by means of atomistic nonequilibrium molecular dynamics…