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Izvestiya Vysshikh Uchebnykh Zavedenii. Materialy Elektronnoi Tekhniki = Materials of Electronics Engineering

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The articles in the issue were prepared based on the materials of the reports presented at the III International Conference "Mathematical Modeling in the Materials Science of Electronic Components", Moscow, October 25–27, 2021.

Vol 24, No 4 (2021)
View or download the full issue PDF (Russian)
https://doi.org/10.17073/1609-3577-2021-4

MATHEMATICAL MODELING IN MATERIALS SCIENCE OF ELECTRONIC COMPONENTS

217-221 437
Abstract

When considering the thermal processes of multilayer nanostructures, a significant part of the energy is dissipated at the boundaries of the layers; to take this factor into account, the Kapitza resistance is used in the simulation. In this study, we calculate the thermal resistance at the Si/SiO2 interface (alpha-quartz) structures for the temperature range up to 567 K. The calculations are carried out based on the acoustic and diffuse mismatch models. The results obtained, in particular, can be used in constructing models of heat transfer in microelectronics.

222-228 359
Abstract

Using TCAD modeling, the effect of changing FinFET structure parameters, such as gate stack layer sizes, rib shape, or doping levels, on the electrical characteristics of the device is investigated.

229-233 301
Abstract

The article considers the problem of developing synchronous and self-timed (ST) digital circuits that are tolerant to soft errors. Synchronous circuits traditionally use the 2-of-3 voting principle to ensure single failure, resulting in three times the hardware costs. In ST circuits, due to dual-rail signal coding and two-phase control, even duplication provides a soft error tolerance level 2.1 to 3.5 times higher than the triple modular redundant synchronous counterpart. The development of new high-precision software simulating microelectronic failure mechanisms will provide more accurate estimates for the electronic circuits’ failure tolerance.

234-241 250
Abstract

Microelectronics is one of the industries that have been developing at a record pace in recentdecades. The most important role in the development of the digital economy is played by the development and organization of the production of a new generation of microelectronic sensors of external influences and microsystems based on them. Due to the need to operate such devices under various conditions, including wide temperature ranges, determining the ranges of their reliable operation is an urgent task. Thermal studies are carried out using the previously constructed two-level mathematical model of a Hall field sensor (HFS) based on a silicon-on-insulator (SOI) heterostructure. The results of computational and experimental studies of the influence of temperature on the characteristics of the SOI HFS are presented. The possibility of operation of the sensor in a wide temperature range is shown. Parametric identification of the mathematical model developed by the authors based on the experimental data is carried out. The sensitivity function of the electric current to temperature change is determined. The proposed approach makes it possible to estimate the required sensitivity of the sensor to determine the temperature with the given accuracy.

242-247 396
Abstract

In this work, simulation modeling of processes of the diffusion of copper ions in low-k dielectric between two neighboring copper lines is performed. It was found that an increase in the diffusion time of an ion in a material with a porosity of 30% and a pore radius of 1 nm (for the input parameters specified in the work) due to an increase in the diffusion path can be estimated at 16%. Moreover, the combined consideration of the effect of an increase in the electric field at the edges of the pores and a decrease in the diffusion activation energy leads to a decrease in the time to breakdown by 26% relatively dense material.

248-254 362
Abstract

The paper analyzes various approaches to the problem of extracting the parameters of an empirical memristor model. A description of the features of the extraction process for the memristor mobility modification model is given, and an original version of the extraction algorithm is proposed, based on the Nelder—Mead optimization algorithm with an objective function based on the calculation of features of the studied current-voltage characteristic. The proposed algorithm is compared with two others — with an objective function based on the symmetric difference between the areas of the model and experimentally obtained current-voltage characteristics and with an objective function based on the MSE between the points of the considered current-voltage characteristics. The comparison is carried out according to the criterion of a fixed budget using a specialized software tool. The proposed extraction algorithm is not inferior to the other two in accuracy, while offering the possibility of fine tuning.

255-259 475
Abstract

The paper considers the problem of modeling materials with the crystal structure of perovskite and double perovskite. Due to the high complexity of obtaining micro- and nanoscale objects, data on the structure and properties of such materials are especially important. This makes it relevant to use computer modeling to predict the required characteristics of materials. Electronic, magnetic, mechanical and other properties of crystalline substances are determined by the specificity of their structure – the periodicity and symmetry of the lattice. The paper considers compounds with the common chemical formulas ABO3 and A2BB’O6 and the crystal lattice of cubic symmetry type are the structural types Perovskite and Double Perovskite. The model of ion-atomic radii, widely used in modeling various crystal structures, is applied. The application of the annealing simulation algorithm to calculate the metric parameters of the compounds under consideration is shown. The software implementation of the algorithm used in the work makes it possible to calculate the coordinates of the atoms included in the elementary cell of the crystal lattice, the lattice constant and the packing density of atoms in the crystal cell according to the given chemical formula and the spatial symmetry group. The listed structural characteristics can be used for the subsequent determination of the electronic, magnetic, and thermal properties of perovskite-like compounds. The article presents a comparison of the values of the lattice constants obtained as a result of numerical modeling with the data published in open sources.

260-266 377
Abstract

In this paper, the segregation of the Ni impurity on open surfaces of the doped strontium titanate perovskite is investigated by means of ab initio molecular dynamics method based on the density functional theory and applied to a model periodic cell with stoichiometry La0.5Sr0.5TiO3 (LST).
The performed studies are based on recent experimental observations on the segregation of Ni impurity atoms and their tendency to form clusters at the boundaries of defect structure of La0.2Sr0.7Ni0.1Ti0.9O3-δ (LSNT) perovskite. The results of the first-principles calculations of segregation energy showed that Ni does actively segregate toward the open surfaces. It was found that during segregation, nickel atoms leave the crystal volume to the perovskite surface and rise above its upper layer. Thus, the obtained results confirm the experimental data on the segregation and formation of nickel clusters on open LSNT surfaces.

PHYSICAL CHARACTERISTICS AND THEIR STUDY

267-274 333
Abstract

When creating new materials designed to work in particularly harsh conditions, the task of giving them corrosion resistance arises, the practical solution of which is associated with the level of knowledge in the field of high-temperature oxidation of metals and alloys. When using conductive aluminum alloys for the manufacture of thin wire, for example, winding wire, etc., certain difficulties may arise due to their insufficient strength and a small number of kinks before failure. In recent years, aluminum alloys have been developed, which even in a soft state have strength characteristics that allow them to be used as a conductor material. One of the conductive aluminum alloys is the E-AlMgSi alloy (Aldrey), which refers to thermally strengthened alloys. It is characterized by high strength and good ductility. This alloy under appropriate heat treatment acquires high electrical conductivity. The wires made from it are used almost exclusively for overhead power lines.
The results of the study of the anodic behavior of the aluminum conductor alloy E-AlMgSi (Aldrey) with calcium, in an electrolyte medium of 0.03; 0.3 and 3.0% NaCl are presented. Corrosion-electrochemical study of alloys was carried out by the potentiostatic method on the PI-5.0-1.1 potentiostat at a potential sweep rate of 2 mV/s. It is shown that alloying the aluminum alloy E-AlMgSi (Aldrey) with calcium increases its corrosion resistance by 20%. The potentials of corrosion, pitting and repassivation of alloys during doping with calcium are shifted to the positive range of values, and from the concentration of sodium chloride in the negative direction of the ordinate axis.

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ISSN 1609-3577 (Print)
ISSN 2413-6387 (Online)