Papers by Nataliya Shwartz
Сборник включает в себя научные работы, отражающие современные мировые достижения в области матер... more Сборник включает в себя научные работы, отражающие современные мировые достижения в области материаловедения электронных компонентов и представляет новые методы математического моделирования и программные решения для разработки прикладных программных систем. Для специалистов в области вычислительного материаловедения, прикладной математики, математического моделирования, проектирования и автоматизации изделий наноэлектроники, разработчиков современных прикладных программных систем, аспирантов и студентов старших курсов университетов и технических вузов. Ключевые слова: математическое моделирование, вычислительное материаловедение, прикладная математика, дизайн материалов, электронные компоненты, наноэлектроника, прикладные программные системы, нейроморфные системы.
Possibility to decrease nanochannel diameters up to one nanometer was demonstrated by Monte Carlo... more Possibility to decrease nanochannel diameters up to one nanometer was demonstrated by Monte Carlo simulation of molecular beam epitaxy on nanochannel surface with following thermal oxidation. Study of atomic processes on porous Si(111) substrates was carried out. In wide range of deposition parameters the rate of nanochannel inlet size decrease was estimated to be 0.13 – 0.15 nm/ML. Optimal conditions for silicon deposition on membrane surface were determined: substrate temperature - from 520 to 700 K, and silicon flux intensity of 10−2 − 10 ML/s. Simulation of nanochannel membranes oxidation in oxygen flux revealed that effect of channel inlet size decreasing due oxidation was insignificant.
Mathematical modeling in materials science of electronic component
The paper deals with Monte Carlo simulation of GaAs nanowire array annealing. Non uniform nanowir... more The paper deals with Monte Carlo simulation of GaAs nanowire array annealing. Non uniform nanowire shrinking experimentally observed in dense array of long nanowires was explained.
Mathematical modeling in materials science of electronic component
In this work, simulation of GaAs(111) high-temperature annealing has been carried out. The effect... more In this work, simulation of GaAs(111) high-temperature annealing has been carried out. The effect of gallium droplets on the surface relief evolution of the vicinal GaAs(111) substrates with different misorientation angles during annealing in a wide temperature range is analyzed
Trans Tech Publications Ltd. eBooks, Aug 14, 2007
the beam propagation with regard to optical activity as well as without considering one is presen... more the beam propagation with regard to optical activity as well as without considering one is presented. We investigate numerically the influence of the magnitudes of external applied voltage and background illumination and of the size and polarization of input beam on the selffocusing. The conditions required for soliton-like propagation are obtained. We discuss also an evolution of the beam polarization state during propagation distance, which is connected with the optical activity.
Proceedings of SPIE, Feb 1, 2001
3D Monte Carlo model of epitaxial growth and sublimation process on {111} surfaces of diamond lik... more 3D Monte Carlo model of epitaxial growth and sublimation process on {111} surfaces of diamond like crystals was developed. Using original rapid algorithm we could simulate crystal fragments with hundreds atomic layers in the depth. One monolayer could contain up to 105 atoms. The model permits voids and overhanging formation. Arbitrary initial surface relief could be prescribed. The results of simulation are the computer film, demonstrating evolution of surface morphology, and data showing the degree of surface roughness. This model was successfully applied for simulation of homoepitaxy on (111) porous silicon surfaces.
SPIE Proceedings, Jun 5, 2002
Using a kinetic Monte Carlo model atomic interlayer exchange influence on the Stranski-Krastsnov ... more Using a kinetic Monte Carlo model atomic interlayer exchange influence on the Stranski-Krastsnov (SK) growth mode was investigated. With the increase of the deposited dose, transition from 2D to 3D growth mode within SK region without changing interlayer exchange and the growth parameters, was observed. Limit parameter values corresponding to 2D yields SK and SK yields 3D transitions were determined.
Applied Surface Science, 1998
The desynchronization mode of 2D-islands creation on the vicinal crystal surface during MBE growt... more The desynchronization mode of 2D-islands creation on the vicinal crystal surface during MBE growth was investigated by Monte Carlo simulation. The behavior of perimeter oscillations of islands on flat and stepped (100) surfaces of a simple cubic crystal was compared. Distribution of 2D-islands sizes with the monolayer number in the same coverage phase was considered. During simulation self-organizing stationary asynchronous structure of islands on the stepped surface was observed, causing damping of perimeter oscillations. This structure caused damping of oscillations of the perimeter under conditions when continuous oscillations were observed on a flat surface. A model of self-organizing asynchronous structure connected exclusively with steps was proposed. An obligatory condition of its occurrence is coexistence of two modes of monolayer coverage: step flow and two-dimensional nucleation growth.
Semiconductors, 2015
The kinetic lattice Monte Carlo model of GaAs nanowire growth by the vapor-liquid-crystal mechani... more The kinetic lattice Monte Carlo model of GaAs nanowire growth by the vapor-liquid-crystal mechanism is suggested. The catalytic and self catalyzed growth of nanowires on the GaAs (111)B surface is simulated. The dependence of the morphology of the growing nanowires on the growth parameters is dem onstrated. Upon self catalyzed growth with gallium drops serving as the growth catalyst, the growth rate of the nanowires linearly depends on the arsenic flow in a wide range of arsenic flow rates. The decreasing dependence of the self catalyzed growth rate of the nanowires on the initial gallium drop diameter is less steep, and the optimal growth temperature is higher than that for catalytic growth. It is shown that self cata lyzed growth is more sensitive to the ratio between the gallium and arsenic flow rates than catalytic growth.
Computational Materials Science, Sep 1, 2023
Semiconductors, Jul 1, 2014
ABSTRACT Silicon-nanocluster formation upon the annealing of SiO x (1 ≤ x < 2) layers is s... more ABSTRACT Silicon-nanocluster formation upon the annealing of SiO x (1 ≤ x < 2) layers is studied with the use of the lattice Monte Carlo model. The simulation is performed taking into account an additional mechanism of silicon transport due to the diffusion of silicon-monoxide (SiO) particles. It is demonstrated that the presence of SiO in the system leads to the growth of a critical silicon-nanocluster nucleus and can increase the nanocluster growth rate. Silicon-nanocluster formation upon the annealing of SiO x layers occurs only for the composition with x < 1.8. Upon the annealing of SiO x layers on a silicon substrate, a region depleted of silicon nanoclusters is observed in the layer adjacent to the substrate, which allows the formation of silicon nanoclusters in the SiO2 matrix at a certain distance from the Si/SiO2 interface.
Mathematical modeling in materials science of electronic component
In this work, simulation of droplet motion over Si(111) and Si(011) surfaces during gold depositi... more In this work, simulation of droplet motion over Si(111) and Si(011) surfaces during gold deposition has been carried out. The dependences of Au-Si droplet velocity on the gold flux are analyzed.
Abstract Monte Carlo simulation results of silicon nanocluster formation in silicon dioxide layer... more Abstract Monte Carlo simulation results of silicon nanocluster formation in silicon dioxide layers and Si and GaAs nanowhiskers growth are presented in this chapter. The influence of silicon monoxide on aggregation of silicon into clusters during high-temperature suboxide SiOx layer annealing was analyzed. The process of axial Si-Ge heterostructure formation during nanowhisker growth was studied. The dependence of GaAs nanowhisker morphology on growth conditions was demonstrated.
ABSTRACT Study of silicon nanocrystal (Si-nc) formation in SiOx layers during high temperature an... more ABSTRACT Study of silicon nanocrystal (Si-nc) formation in SiOx layers during high temperature annealing was fulfilled by Monte Carlo simulation. Role of silicon monoxide in the process of cluster nucleation and growth was analyzed. Dependencies of Si-nc size, number of clusters on temperature and annealing time for open and closed systems were obtained. Simulation demonstrated that presence of silicon monoxide increased critical nucleus size and could accelerate Si-nc aggregation rate.
Surface Science, Aug 1, 2006
ABSTRACT A hypothesis of perpendicular dimer row formation along three-bilayer (3BL) step was sug... more ABSTRACT A hypothesis of perpendicular dimer row formation along three-bilayer (3BL) step was suggested. The hypothesis, explains the stability of 3BL steps on the vicinal Si(111) surface deflected in 〈1¯1¯2〉 direction as well as the limitation of Ge and Si island height by 3BL at the initial nucleation stages on Si(111) surface. The detailed examinations of STM images of 3BL steps were carried out. New peculiarities of atomic structure of 3BL single step on Si(111) and 3BL steps on Si(557) surfaces were revealed. The results of STM images examination verify the hypothesis of perpendicular dimer row formation along the boundary of the 3BL step.
Key Engineering Materials, Aug 1, 2007
Kinetics of porous layer evolution during high-temperature annealing was investigated by Monte Ca... more Kinetics of porous layer evolution during high-temperature annealing was investigated by Monte Carlo simulation. Sintering process of spongy one-component films with randomly distributed pores was studied. Layers with porosity from 20% to 50% with simple cubic and diamond-like lattices were under examination. Sintering rate was demonstrated to be non-monotone in time for any film porosity and different lattice coordination number. Metastable states of the system, dependent on time and temperature of annealing process, were revealed. Estimation of annealing time necessary to reach the definite sintering level under changes of annealing temperature was suggested.
Semiconductors, Jun 1, 2008
Deposition of SiO x layers of variable composition onto silicon wafers was performed by co-sputte... more Deposition of SiO x layers of variable composition onto silicon wafers was performed by co-sputtering of spaced Si and SiO2 targets in argon plasma. Coordinate dependences of the thickness and refractive index of separately deposited Si and SiO2 layers and the SiO x layer grown during co-sputtering of targets were determined using optical techniques. It was shown that the SiO
Russian Physics Journal, Nov 1, 2009
The Monte Carlo method is used to simulate the kinetics of growth and the morphology of one-compo... more The Monte Carlo method is used to simulate the kinetics of growth and the morphology of one-component nanowhiskers. It is demonstrated that for a proper choice of catalyst and substrate materials, hollow nanowhiskers can grow. The nanotube growth conditions are established. In the process of vapor-liquid-crystal crystallization, the dependence of the activation energy of chemical reactions on the neighboring species and their number in the first coordination sphere of reagent atoms is considered.
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Papers by Nataliya Shwartz