Related papers: Hydrogen dynamics and light-induced structural cha…
Twisted light is light carrying orbital angular momentum. The profile of such a beam is a ring-like structure with a node at the beam axis, where a phase singularity exits. Due to the strong spatial inhomogeneity the mathematical…
The structural and electronic properties of amorphous silicon ($a$-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on the intrinsic structural defects. By simulated melting and…
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)…
The growing library of two-dimensional layered materials is providing researchers with a wealth of opportunity to explore and tune physical phenomena at the nanoscale. Here, we review the experimental and theoretical state-of-art concerning…
We develop theory of realization of hybrid entanglement between discrete-variable (single photon) and continuous-variable states (coherent states). A highly transmissive beam splitter (HTBS) is used for interaction of the ingredients.…
The hybrid graphene - hexagonal boron nitride (G-hBN) systems offer new routes in the design of nanoscale electronic devices. Using {\it ab initio} density functional theory calculations we investigate the dynamics of zig-zag nanoribbons a…
Entanglement in high-dimensional quantum systems, where one or more degrees of freedom of light are involved, offers increased information capacities and enables new quantum protocols. Here, we demonstrate a functional source of…
We report on a novel transport phenomenon realized by optical pumping in surface state electrons on helium subjected to perpendicular magnetic fields. The electron dynamics is governed by the photon-induced excitation and…
New advances in single-atom manipulation are leading to the creation of atomic structures on H passivated Si surfaces with functionalities important for the development of atomic and molecular based technologies. We perform total-energy and…
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…
The dynamics of exotic hypernuclei in heavy-ion collisions has been investigated thoroughly with a microscopic transport model. All possible channels on hyperon ($\Lambda$, $\Sigma$ and $\Xi$) production near threshold energies are…
We construct superposition states of energy eigenstates of the hydrogen molecule using classically emulated digital quantum simulation. We generate the ground state and excited states of the system via the twirling operation method, and…
The present work is essentially focused on the study of optical and structural properties of hydrogenated amorphous silicon thin films (a-Si:H) prepared by radio-frequency cathodic sputtering. We examine separately the influence of hydrogen…
Many theoretical and laboratory studies predict H2 to be formed in highly excited ro-vibrational states. The consequent relaxation of excited levels via a cascade of infrared transitions might be observable in emission from suitable…
We present results predicting experimentally measurable structural quantities from molecular dynamics studies of hydrogen. In doing this, we propose a paradigm shift for experimentalists -- that the predictions from such calculations should…
We demonstrate theoretically the possibility of spinodal de-wetting in heterostructures made of light--atom liquids (hydrogen, helium, and nitrogen) deposited on suspended graphene. Extending our theory of film growth on two-dimensional…
Amorphous silicon films prepared by electron beam evaporation have systematically and substantially greater atomic density for higher thickness, higher growth temperature, and slower deposition rate, reaching the density of crystalline Si…
Structured light are custom light fields where the phase, polarization, and intensity vary with position. It has been used for nanotweezers, nanoscale imaging, and quantum information technology, but its role in exciting optical transitions…
Scanning tunneling microscopy images of hydrogen-terminated Si(110) surfaces are studied using first-principles calculations. Our results show that the calculated filled-state images and local density of states are consistent with recent…
Despite their rich information content, electronic structure data amassed at high volumes in $ab$ $initio$ molecular dynamics simulations are generally under-utilized. We introduce a transferable high-fidelity neural network representation…