Related papers: First-principles modelling for time-resolved ARPES…
We report a computationally tractable approach to first principles investigation of time-dependent current of molecular devices under a step-like pulse. For molecular devices, all the resonant states below Fermi level contribute to the…
Angle-resolved photoemission spectroscopy is the leading tool for studying the symmetry and structure of the order parameter in superconductors. The recent improvement of the technique made it possible to detect the superconducting energy…
Plasmon excitations in free-standing graphene and graphene/hexagonal boron nitride (hBN) heterostructure are studied using linear-response time-dependent density functional theory within the random phase approximation. Within a single…
Within the context of first principles techniques we present a theoretical and computational framework to quickly determine, at finite momentum, the self-consistent (longitudinal) charge response to an external perturbation, that enters the…
Time-and-frequency resolved pump-probe optical spectroscopy is used to investigate the effect of the impulsive injection of delocalized excitations through a charge-transfer process in insulating CuGeO3. A large broadening of the…
Resonant elastic X-ray scattering has been widely employed for exploring complex electronic ordering phenomena, like charge, spin, and orbital order, in particular in strongly correlated electronic systems. In addition, recent developments…
Angle-resolved photoemission spectroscopy (ARPES) is the key momentum-resolved technique for direct probing of the electronic structure of a material. However, since it is very surface-sensitive, it has been applied to a relatively small…
A new solution to the mono-dimensional diffusion equation for time-variable first kind boundary condition is presented where the time-variable function at the surface is derived proposing a surface saturation model. This solution may be…
A first-principles approach is introduced to calculate electron field emission characteristics of nanostructures, based on the nonequilibrium Green function technique combined with the density functional theory. The method employs…
Here we report the first time- and angle-resolved photoemission spectroscopy (TR-ARPES) with the new Fermiologics "FeSuMa" analyzer. The new experimental setup has been commissioned at the Artemis laboratory of the UK Central Laser…
The implementation of attosecond photoelectron-photoion coincidence spectroscopy for the investigation of atomic and molecular dynamics calls for a high-repetition-rate driving source combined with experimental setups characterized by…
Angle-resolved photoemission spectroscopy (ARPES) is one of the most powerful experimental techniques in condensed matter physics. Synchrotron ARPES, which uses photons with high flux and continuously tunable energy, has become particularly…
The general scheme for the treatment of relaxation processes and temporal autocorrelations of dynamical variables for many particle systems is presented in framework of the recurrence relations approach. The time autocorrelation functions…
Over the last three decades numerous numerical methods for solving the time-dependent Schr\"{o}dinger equation within the single-active electron approximation have been developed for studying ionization of atomic targets exposed to an…
Magnetically controlled states in quantum materials are central to their unique electronic and magnetic properties. However, direct momentum-resolved visualization of these states via angle-resolved photoemission spectroscopy (ARPES) has…
The spectral method for building first integrals of ordinary linear differential systems is elaborated. Using this method, we obtain bases of first integrals for linear differential systems with constant coefficients, for linear…
Piezoelectrics have long been studied using parameterized models fit to experimental data, starting with the work of Devonshire in 1954. Much has been learned using such approaches, but they can also miss major phenomena if the materials…
A first-principles method, based on density functional perturbation theory, is presented for computing the leading order tunability of high-dielectric-constant materials.
Ultrafast optical pump-probe spectroscopy is a powerful tool to study dynamics in solid materials on femto- and picosecond timescales. In such experiments, a pump pulse induces dynamics inside a sample by impulsive light-matter interaction,…
The recent experiments reported by Borisenko et al. (cond-mat/0305179 v2), are examined in light of the conditions to be satisfied in the search for time-reversal violation by circularly polarized ARPES. Two principal problems are found:…