Related papers: Atomistic study of dislocation formation during Ge…
The morphological evolution of hillocks at the unpassivated sidewalls of the single crystal metallic thin films is investigated via computer simulations by using the free-moving boundary value problem. The effects of the drift-diffusion…
Over the past decades, discrete dislocation dynamics simulations have been shown to reliably predict the evolution of dislocation microstructures for micrometer-sized metallic samples. Such simulations provide insight into the governing…
Recent experiments involving CdTe films grown on Si(111) substrates by hot wall epitaxy revealed features not previously observed [S. O. Ferreira \textit{et al.}, J. Appl. Phys. \textbf{93}, 1195 (2003)]. This system, which follows the…
We present theoretical study of morphology of Fe islands grown at Mo(110) surface in sub-monolayer MBE mode. We utilize atomistic SOS model with bond counting, and interactions of Fe adatom up to third nearest neighbors. We performed KMC…
Using the plane wave pseudopotential method we performed density functional theory calculations on the stability of steps and self-diffusion processes on Ag(100). Our calculated step formation energies show that the {111}-faceted step is…
It is investigated the formation of the phase composition and structure in the nanoscaled CoSbx (30 nm) films deposited by the method of molecular-beam epitaxy on the substrates of the oxidated monocrystalline silicon at 200 C and following…
The morphology of GaN samples grown by plasma-assisted molecular beam epitaxy on Si(111) was systematically studied as a function of impinging Ga/N flux ratio and growth temperature (750-850{\deg}C).Two different growth regimes were…
In this work, molecular dynamics (MD) simulations were used to investigate elementary dislocation properties in a Co-free high entropy (HEA) model alloy ($Cr_{15}Fe_{46}Mn_{17}Ni_{22}$ at. %) in comparison with a model alloy representative…
We report the molecular beam epitaxy of Bi_1-xSb_x thin films ($0 \leq x \leq 1$) on (0001) sapphire substrates using a thin (Bi,Sb)$_2$Te$_3$ buffer layer. Characterization of the films using reflection high energy diffraction, x-ray…
We report comprehensive x-ray diffraction studies of the crystal structure and epitaxy of thin films of the topological insulator Bi2Te3 grown on Si (1 1 1). The films are single crystals of high crystalline quality, which strongly depends…
NiO layers were grown on MgO(100), MgO(110), and MgO(111) substrates by plasma-assisted molecular beam epitaxy under Ni-flux limited growth conditions. Single crystalline growth with a cube-on-cube epitaxial relationship was confirmed by…
Epitaxial growth of topological insulator Bi2Se3 thin films on nominally flat and vicinal Si(111) substrates is studied. In order to achieve planner growth front and better quality epifilms, a two-step growth method is adopted for the van…
The nature of mechanically induced dislocations in SrTiO3 at low temperatures has been a disputed matter for a long time. Here we provide a systematic overview of the existing knowledge on dislocations in stoichiometric SrTiO3 complemented…
Segregation at surfaces of metal-covalent binary liquids is often non-classical and in extreme cases such as AuSi, the surface crystallizes above the melting point. In this study, we employ atomic-scale computational frameworks to study the…
The development of Si-compatible active photonic devices is a high priority in computer and modern electronics industry. Ge is compatible with Si and is a promising light emission material. Nearly all Ge-on-Si materials reported so far were…
Cubic silicon carbide (3C-SiC) is an emerging material for high power and new generation devices, but the development of high quality 3C-SiC layer still represents a scientific and technological challenge especially when grown on a Si…
The interaction between vacancies and edge dislocations in face centered cubic metals (Al, Au, Cu, Ni) is studied at different length scales. Using empirical potentials and static relaxation, atomic simulations give us a precise description…
Si/Ge heteroepitaxial dots under tensile strain are grown on nanostructured Ge substrates produced by high-temperature flash heating exploiting the spontaneous faceting of the Ge(001) surface close to the onset of surface melting. A very…
In a recent publication, we derived the mesoscale continuum theory of plasticity for multiple-slip systems of parallel edge dislocations, motivated by the statistical-based nonlocal continuum crystal plasticity theory for single-glide due…
We investigate the effects of topological defects (dislocations) to the ground state of the solid-on-solid (SOS) model on a simple cubic disordered substrate utilizing the min-cost-flow algorithm from combinatorial optimization. The…