Related papers: Atomistic simulation of light-induced changes in h…
We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…
Intense light with frequencies above typical atomic or molecular ionization potentials as provided by free-electron lasers couples many photons into extended targets such as clusters and biomolecules. This implies, in contrast to…
The well-known effects of the spin-orbit interaction of light are manifestations of pair mutual influence of the three types of the angular momentum of light, namely, the spin angular momentum, the extrinsic orbital angular momentum and the…
The preferentially (220) orientated polycrystalline silicon films have been fabricated by performing photon-involved rapid thermal annealing upon amorphous silicon films. In contrast, conventional thermal annealing of the silicon amorphous…
The characteristics of a hydrogenated amorphous silicon (a-Si:H) detector are presented here for monitoring in space solar flares and the evolution of large energetic proton events up to hundreds of MeV. The a-Si:H presents an excellent…
The ionization of an atom by a high-frequency intense laser pulse, where the energy of a single-photon is sufficient to ionize the system, is investigated from first principles. It is shown that as a consequence of an AC Stark effect in the…
We have investigated the response of amorphous silicon (a-Si), in particular crystallization, to external mechanical shear deformations using classical molecular dynamics (MD) simulations and the empirical Environment Dependent Inter-atomic…
The dynamics of the electron impact multiphoton ionization of a hydrogen atom in the presence of an intense laser field has been studied theoretically, with a view to comparing (qualitatively) the results with the recent kinematically…
We investigate the influence of hydrogen on the electronic structure of a binary transition metallic glass of V$_{80}$Zr$_{20}$. We examine the hybridization between the hydrogen and metal atoms with the aid of hard x-ray photoelectron…
Light-induced nonadiabatic effects can arise from the interaction of a molecule with the quantized electromagnetic field of a Fabry--P\'erot or plasmonic nanocavity. In this context, the quantized radiation field mixes the vibrational,…
The kinetics of E' centers induced in silica by 4.7eV laser irradiation was investigated observing in situ their optical absorption band at 5.8 eV. After exposure the defects decay due to reaction with diffusing molecular hydrogen of…
Transition metal complexes for photochemical applications often feature a high density of electron-vibrational states characterized by nonadiabatic and spin-orbit couplings. Overall, the dynamics after photoexcitation is shaped by rapid…
We construct an effective Hamiltonian of interacting bosons, based on scattered radiation off vibrational modes of designed molecular architectures. Making use of the infinite yet countable set of spatial modes representing the scattering…
The molecular dynamics method is applied to simulate the recrystallization of an amorphous/crystalline silicon interface. The atomic structure of the amorphous material is constructed with the method of Wooten, Winer, and Weaire. The…
We present a theory describing interaction of structured light, such as light carrying orbital angular momentum, with molecules. The light-matter interaction Hamiltonian we derive is expressed through couplings between spherical gradients…
Simulation of the interaction of light with matter, including at the few-photon level, is important for understanding the optical and optoelectronic properties of materials, and for modeling next-generation non-linear spectroscopies that…
Based on density-functional perturbation theory we have computed from first principles the photoelastic tensor of few crystalline phases of silica at normal conditions and high pressure (quartz, $\alpha$-cristobalite, $\beta$-cristobalite)…
We investigate one of the consequences of the three competing models describing the mechanical interaction of light with a dielectric medium. According to both the Abraham and Minkowski models the time-averaged force density is zero inside…
The Schrodinger motion of a charged quantum particle in an electromagnetic potential can be simulated by the paraxial dynamics of photons propagating through a spatially inhomogeneous medium. The inhomogeneity induces geometric effects that…
We theoretically investigate the interband transitions and quantum kinetics induced by light carrying orbital angular momentum, or twisted light, in bulk semiconductors. We pose the problem in terms of the Heisenberg equations of motion of…