Related papers: Atomistic study of dislocation formation during Ge…
A predictive model for the evolution of porous Ge layer upon thermal treatment is reported. We represent an idealized etched dislocation core as an axially symmetric elongated hole and computed its dynamics during annealing. Numerical…
The different mechanisms involved in the alloying of epitaxial nanocrystals are reported in this letter. Intermixing during growth, surface diffusion and intra-island diffusion were investigated by varying the growth conditions and…
Dislocations, as topological defects in crystal lattices, are fundamental to understanding plasticity in materials. Similar periodic structures also arise in continuum field theories, such as chiral soliton lattices (CSLs), which appear in…
Two-dimensional simulations of the coarsening process of the isotropic/smectic-A phase transition are presented using a high-order Landau-de Gennes type free energy model. Defect annihilation laws for smectic disclinations, elementary…
A great deal of interest is directed nowadays towards the development of innovative technologies in the field of quantum information and quantum computing, with emphasis on obtaining reliable qubits as building blocks. The realization of…
This work unravels the atomic details of the interaction of solute atoms with nanoscale crystalline defects. The complexity of this phenomenon is elucidated through detailed atom probe tomographic investigations on epitaxially-strained,…
Real-time analysis of the growth modes during homoepitaxial (0001)GaN growth by plasma-assisted molecular beam epitaxy was performed using reflection high energy electron diffraction. A growth mode map was established as a function of Ga/N…
The suitability of molecular statics (MS) simulations to model the structure of 90{\deg} glide set partial dislocation cores in GaAs is analyzed. In the MS simulations the atomic positions are iteratively relaxed by energy minimization, for…
We develop a fully coupled theoretical description of dislocation dynamics on deformable crystalline surfaces, using continuum modeling and the amplitude-phase-field crystal (APFC) framework extended to curved geometries. We derive a…
We study a model for thin film electrodeposition in which instability development by preferential adsorption and reduction of cations at surface peaks competes with surface relaxation by diffusion of the adsorbates. The model considers…
The role of a simple surface defect, such as a step, for relaxing the stress applied to a semiconductor, has been investigated by means of large scale first principles calculations. Our results indicate that the step is the privileged site…
The puzzling experimental observations of Ag addimer formation on the Si(100) surface upon vapor deposition at low temperature, even as low as 140 K, reported by Huang et al. [Phys. Chem. Chem. Phys. 2021, 23, 4161], is explained by facile…
We investigate the hetero-epitaxial growth of thin film deposited on a (001) substrate via molecular dynamics simulations, using six fcc transition metals as our modeling systems. By studying the radial distribution function in the film…
We demonstrate a new substrate cleaning and buffer growth scheme in $\beta$-Ga$_2$O$_3$ epitaxial thin films using metalorganic vapor phase epitaxy (MOVPE). For the channel structure, a low-temperature (LT, 600 $^\circ$C) undoped…
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…
This paper presents PANIC, a 3D discrete mesoscale dislocation dynamics model which includes a fully quantitative treatment of both dislocation climb and dislocation glide, including climb driven by both osmotic and mechanical stresses and…
The self-organized growth of Co nanoparticles with 10 nm periodicity was achieved at room temperature on a Ag(001) surface patterned by an underlying dislocation network, as shown by real time, in situ Grazing Incidence Small and Wide Angle…
In this work, the nucleation and growth mechanism of aluminum oxide (Al2O3) in the early stages of the direct atomic layer deposition (ALD) on monolayer epitaxial graphene (EG) on silicon carbide (4H-SiC) has been investigated by atomic…
Bi$_2$Se$_3$ is a widely studied 3D topological insulator having potential applications in optics, electronics, and spintronics. When the thickness of these films decrease to less than approximately 6 nm, the top and bottom surface states…
Recent experiments by Kiritani et al. have revealed a surprisingly high rate of vacancy production during high-speed deformation of thin foils of fcc metals. Virtually no dislocations are seen after the deformation. This is interpreted as…