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The random deposition model must be enriched to reflect the variety of surface roughness due to some material characteristics of the film growing by vacuum deposition or sputtering. The essence of the computer simulation in this case is to…
We present models of surfaces of crystals in an environment where molecular beam epitaxy (MBE) and related methods of crystal growth like atomic layer epitaxy (ALE) can be performed. Besides detailed models of reconstructed (001) surfaces…
Molecular-beam epitaxy (MBE) provides a simple but powerful way to synthesize large-area high-quality thin films and heterostructures of a wide variety of materials including accomplished group III-V and II-VI semiconductors as well as…
Atomically thin PtSe2 films have attracted extensive research interests for potential applications in high-speed electronics, spintronics and photodetectors. Obtaining high quality, single crystalline thin films with large size is critical.…
The energetically driven Ehrlich-Schwoebel (ES) barrier had been generally accepted as the primary cause of the growth instability in the form of quasi-regular mound-like structures observed on the surface of thin film grown via molecular…
Using molecular beam epitaxy (MBE) to grow multi-elemental oxides (MEO) is generally challenging, partly due to difficulty in stoichiometry control. Occasionally, if one of the elements is volatile at the growth temperature, stoichiometry…
Epitaxial films evolve on time and length scales that are inaccessible to atomistic computer simulation methods like molecular dynamics (MD). To numerically predict properties for such systems, a common strategy is to employ kinetic Monte…
In limited mobility (LM) models of thin film deposition, the final position of each atom or molecule is chosen according to a set of stochastic rules before the incidence of another atom or molecule. Here we investigate the possibility of a…
We have synthesized Fe$_{1+y}$Te thin films by means of molecular beam epitaxy (MBE) under Te-limited growth conditions. We found that epitaxial layer-by-layer growth is possible for a wide range of excess Fe values, wider than expected…
\emph{Wolf-Villain (WV) model} is a simple model used to study \emph{ideal} molecular beam epitaxy (MBE) growth by using computer simulations. In this model, an adatom diffuses instantaneously within a finite diffusion length to maximize…
Intrinsic magnetic topological insulators have emerged as a promising platform to study the interplay between topological surface states and ferromagnetism. This unique interplay can give rise to a variety of exotic quantum phenomena,…
Transition metal dichalcogenides (TMDCs), together with other two-dimensional (2D) materials have attracted great interest due to the unique optical and electrical properties of atomically thin layers. In order to fulfill their potential,…
We present some results of Monte Carlo simulations for the deposition of particles of different sizes on a two-dimensional substrate. The particles are linear, height one, and can be deposited randomly only in the two, $x$ and $y$…
We study the statistics of the number of executed hops of adatoms at the surface of films grown with the Clarke-Vvedensky (CV) model in simple cubic lattices. The distributions of this number, $N$, are determined in films with average…
The recent identification of $\alpha$-MnTe as a candidate altermagnet has attracted considerable interest, particularly for its potential application in magnetic random-access memory. However, the development of high-quality thin films -…
We report on the epitaxial growth and the characterization of thin FePt films and the subsequent patterning of magnetic lattice structures. These structures can be used to trap ultracold atoms for quantum simulation experiments. We use…
Atomically thin transition metal dichalcogenide films with distorted trigonal (1T$^\prime$) phase have been predicted to be candidates for realizing quantum spin Hall effect. Growth of 1T$^\prime$ film and experimental investigation of its…
We investigate the growth of a film of some element B on a substrate made of another substrance A in a model of molecular beam epitaxy. A vertical exchange mechanism allows the A-atoms to stay on the growing surface with a certain…
Molecular beam epitaxy enables the growth of thin film materials with novel properties and functionalities. Typically, the lattice constants of films and substrates are designed to match to minimise disorders and strains. However,…
The growth of atomically-flat thin films of ferroelectric PbTiO3 on SrTiO3 substrates, using molecular beam epitaxy, is reported. The main issue in the growth of these materials is the high volatility of lead. This can be largely overcome…