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An extensive search for low-energy lithium defects in crystalline silicon using density-functional-theory methods and the ab initio random structure searching (AIRSS) method shows that the four-lithium-atom substitutional point defect is…
Corrections of orders alpha^5 and alpha^6 are calculated in the hyperfine splittings of 1S and 2S - energy levels in the ion of muonic helium. The electron vacuum polarization effects, the nuclear structure corrections and recoil…
We present a computational study of the adhesive and structural properties of the Al/Al2O3 interfaces as building blocks of the Metal-Insulator-Metal (MIM) tunnel devices, where electron transport is accomplished via tunnelling mechanism…
The possibility of the formation of an electron-hole liquid in the type II heterostructures based on monolayers (bilayers) of transition metal dichalcogenides is considered. It is indicated that additional valleys in the conduction band,…
With full knowledge of a material's atomistic structure, it is possible to predict any macroscopic property of interest. In practice, this is hindered by limitations of the chosen characterisation techniques. For example, electron…
Chalcogen vacancies are considered to be the most abundant point defects in two-dimensional (2D) transition-metal dichalcogenide (TMD) semiconductors, and predicted to result in deep in-gap states (IGS). As a result, important features in…
The quantum tunneling time remains the subject of heated debate, and one of its most curious features is faster-than-light or superluminal tunneling. Our tunnel-ionization model of the time-delay, presented in previous work, shows good…
Electrons can form a two-dimensional electron gas at metal surfaces, where lateral confinement leads to quantum-well states. Such states have been observed for highly itinerant electrons, but it remains an open question whether quantum-well…
The retarded long-range potentials for hydrogen and alkali-metal atoms in their ground states and a perfectly conducting wall are calculated. The potentials are given over a wide range of atom-wall distances and the validity of the…
We study the tunneling current between two counterpropagating edge modes described by chiral Luttinger liquids when the tunneling takes place along an extended region. We compute this current perturbatively by using a tunnel Hamiltonian.…
Using a combination of quantum and classical computational approaches, we model the electronic structure in amorphous silicon in order gain understanding of the microscopic atomic configurations responsible for light induced degradation of…
We determine the relative ionization of deuterium and hydrogen in low metallicity damped Lyman-alpha (DLA) and sub-DLA systems using a detailed suite of photoionization simulations. We model metal-poor DLAs as clouds of gas in pressure…
Transitioning to solid-state ultraviolet (UV) lighting is critical for reducing global energy utilization to meet net-zero targets. AlGaN-based far-UVC LEDs offer a mercury-free, energy-efficient alternative to conventional mercury lamps,…
The interactions between different layers in van der Waals heterostructures have a significant impact on the electronic and optical characteristics. By utilizing the intrinsic dipole moment of Janus transition metal dichalcogenides (TMDs),…
Copper is a detrimental impurity in silicon with high diffusivity and a high tendency to precipitate. Interaction between Cu and other defects is essential for understanding the nature of Cu precipitation in silicon. Despite extensive…
Spectra of late-type stars are usually analyzed with static model atmospheres in local thermodynamic equilibrium (LTE) and a homogeneous plane-parallel or spherically symmetric geometry. The energy balance requires particular attention, as…
Herein, we invesgate the consequence of local voltage pulses on the adsorption state of single indigo molecules on the Cu(111) surface as well as on the atomic structure underneath the molecule. With a scanning tunneling microscope, at 5 K,…
To interpret H_2 quasar absorption line observations in Damped Ly-alpha clouds (DLAs), we model the H_2 spatial distribution within a DLA. Based on numerical simulations of disk structures with parameters similar to those derived for such…
The tunneling between two parallel two-dimensional electron gases has been investigated as a function of temperature $T$, carrier density $n$, and the applied perpendicular magnetic field $B$. In zero magnetic field the equilibrium resonant…
We study Topological Defects (TD) in hidden (mirror) matter as possible sources of ultra-high energy neutrinos. The hidden/mirror and ordinary matter are assumed to interact very weakly through gravity or superheavy particles. An…