Related papers: Quantum effects in surface diffusion: application …
The effect of the nitrided layer introduced by NO annealing on the electronic structure and carrier scattering property of the 4H-SiC(0001)/SiO$_2$ interface is investigated by the density functional theory calculation using the interface…
This study investigates hydrogen permeation in titanium aluminium nitride (TiAlN) using ab initio density functional theory (DFT) for cubic and hexagonal crystal structures. Despite the significance of hydrogen barriers, the potential of…
Thermal energy atom scattering at a surface with grazing incidence conditions is an innovative method for investigating dispersive atom-surface interactions with potential application in quantum sensing interferometry. The complete…
With the quantum diffusion approach the behavior of capture cross sections and mean-square angular momenta of captured systems are revealed in the reactions with deformed and spherical nuclei at sub-barrier energies. With decreasing…
Diffusion is a fundamental physical phenomenon with critical applications in fields such as metallurgy, cell biology, and population dynamics. While standard diffusion is well-understood, anomalous diffusion often requires complex non-local…
Surface diffusion of small adsorbates is analyzed in terms of the so-called intermediate scattering function and dynamic structure factor, observables in experiments using the well-known quasielastic Helium atom scattering and Helium spin…
Ab initio calculations were used to disentangle the mystery of Nakamura activation of p-type in Mg doped MOVPE grown gallium nitride, the key process leading to the 2014 Nobel Prize in Physics. Calculations were used to obtain the…
We investigate the scattering of hydrogen isotopes at the W(110) surface using both classical and quantum dynamics approaches to elucidate the role of quantum effects in this system. To characterize the scattering process we focus on key…
Quantum phase properties of photon added and subtracted displaced Fock states (and a set of quantum states which can be obtained as the limiting cases of these states) are investigated from a number of perspectives, and it is shown that the…
Trapping of charge at surface states is a longstanding problem in GaN that hinders a full realization of its potential as a semiconductor for microelectronics. At least part of this charge originates in molecules adsorbed on the GaN…
We present the theory of the electronic transfer and the optical properties of the quasi-zero dimensional quantum nanostructures, like quantum dots or the DNA molecule. The theory is based on the multiple scattering of the charge carriers…
We study the quantum Arnol'd diffusion for a particle moving in a quasi-1D waveguide bounded by a periodically rippled surface, in the presence of the time-periodic electric field. It was found that in a deep semiclassical region the…
In metallic nanoparticles, shifts in the ionization energy of surface atoms with respect to bulk atoms can lead to surface bands. Within a simple Tight Binding model we find that the projection of the electronic density of states on these…
Surface modes are coupled electromagnetic/electrostatic excitations of free electrons near the vacuum-plasma interface and can be excited on a sufficiently dense plasma half-space. They propagate along the surface plane and decay in either…
Quantum plasmas in astrophysical environments are abundant due to extreme electric, magnetic, and gravitational fields. These plasmas can be most clearly observed in neutron stars, white dwarfs, brown dwarfs, red dwarfs, accretion disks of…
Electron transport properties of titanium nanowires were experimentally studied. Below the effective diameter $\lesssim$ 50 nm all samples demonstrated a pronounced broadening of the $R(T)$ dependencies, which cannot be accounted for…
Diffusive transport of a particle in spatially correlated random energy landscape having exponential density of states has been considered. We exactly calculate the diffusivity in the nondispersive quasi-equilibrium transport regime and…
We present an ab initio approach to electronic transport in nanoscale systems which includes electronic correlations through the GW approximation. With respect to Landauer approaches based on density-functional theory (DFT), we introduce a…
Electron transport in graphene under a laser-modulated barrier is studied in the presence of an energy gap, a scalar potential, and a uniaxial zigzag strain. The transfer-matrix approach is used with the boundary conditions to derive the…
TiO2 is a technologically important material. In particular, its anatase polymorph plays a major role in photocatalysis, which can also accommodate charged and neutral vacancies. There is, however, scant theoretical work on the vacancy…