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Moscow, Russia

Kintech Lab is a software company headquartered in the Russia. It provides computer simulation software in the areas of combustion, energy sources, photonics, microelectronics, nanotechnology. Also Kintech Lab is the R & D company performing scientific research projects in the above-mentioned areas. Kintech Lab was established in 1998 by a group of scientists from RSC Kurchatov Institute. Wikipedia.

Popov A.M.,Russian Academy of Sciences | Lebedeva I.V.,Kintech Lab | Knizhnik A.A.,RAS Research Center Kurchatov Institute
Applied Physics Letters | Year: 2012

A scheme of the scanning rotational microscope is designed. This scheme is based on using carbon nanotubes simultaneously as a probe tip and as a bolt/nut pair which converts translational displacements of two piezo actuators into pure rotation of the probe tip. First-principles calculations of the interaction energy between movable and rotational parts of the microscope confirm the capability for its operation. The scanning rotational microscope with a chemically functionalized nanotube-based tip can be used to study how the interaction between individual molecules or a molecule and a surface depends on their relative orientation. © 2012 American Institute of Physics. Source

Kretov M.K.,Moscow State University | Iskandarova I.M.,Kintech Lab | Potapkin B.V.,RAS Research Center Kurchatov Institute | Scherbinin A.V.,Moscow State University | And 2 more authors.
Journal of Luminescence | Year: 2012

A sequential, fully first-principle theoretical study of the Mn 2+ green emission bands in the Zn 2SiO 4:Mn 2+ phosphor is presented for the first time. A combined approach is developed based on the modern periodic density-functional theory and cluster ab initio wave-function-based electronic structure methods, the linear response theory for lattice phonons, and generating function formalism of vibronic spectra within the displaced multi-mode harmonic oscillator model. We obtain fairly good agreement between the calculated low- and high-temperature emission band positions, widths, zero-phonon lines and phonon wings and the available experimental emission studies, with special emphasis on Mn 2+ distribution over two non-equivalent Zn 2+ sites in the Zn 2SiO 4 material. An interpretation for vibronic structure observed in the low-temperature emission spectrum of this phosphor is suggested based on the present first-principle study. © 2012 Elsevier B.V. All rights reserved. Source

Popov A.M.,Russian Academy of Sciences | Lebedeva I.V.,Kintech Lab | Knizhnik A.A.,RAS Research Center Kurchatov Institute | Lozovik Y.E.,Moscow Institute of Physics and Technology | Potapkin B.V.,RAS Research Center Kurchatov Institute
Journal of Physical Chemistry C | Year: 2013

The possibility to control the commensurability and distance between graphene layers separated by a dielectric spacer is considered by the example of a heterostructure consisting of double-layer graphene separated by atomic layers of argon. Van der Waals-corrected density functional theory (DFT-D) is applied to study structural, energetic, and tribological characteristics of this heterostructure. It is found that, in the ground state, monolayer and bilayer argon spacers are incommensurate with the graphene layers, whereas sub-monolayer argon spacers which are commensurate with the graphene layers can exist only as metastable states. The calculations show that this incommensurability provides negligibly small static friction for relative motion of argon-separated graphene layers; therefore, such a heterostructure holds great promise for use in nanoelectromechanical systems. A scheme and operational principles of the nanorelay based on the revealed tribological properties of the heterostructure are proposed. © 2013 American Chemical Society. Source

Belousov S.,RAS Research Center Kurchatov Institute | Bogdanova M.,Kintech Lab | Teslyuk A.,RAS Research Center Kurchatov Institute
Journal of Physics D: Applied Physics | Year: 2016

We study theoretically the optical performance of organic light-emitting diodes (OLEDs) with 2D periodical corrugation at the cathode. We show how emergence of radiative surface plasmon resonances at the 2D corrugated cathode leads to the enhancement of the outcoupling efficiency of the OLED, which is primarily due to the outcoupling of emission generated by vertically oriented emitting excitons in the emission layer. We analyze the outcoupling efficiency of the OLED as a function of geometrical parameters of the corrugation and establish design rules for optimal outcoupling enhancement with the 2D corrugation at the cathode. © 2016 IOP Publishing Ltd. Source

Lebedeva I.V.,University of the Basque Country | Lebedev A.V.,Kintech Lab | Popov A.M.,Russian Academy of Sciences | Knizhnik A.A.,RAS Research Center Kurchatov Institute
Physical Review B - Condensed Matter and Materials Physics | Year: 2016

Dislocations corresponding to a change of stacking in two-dimensional hexagonal bilayers, graphene and boron nitride, and associated with boundaries between commensurate domains are investigated using the two-chain Frenkel-Kontorova model on top of ab initio calculations. Structural transformations of bilayers in which the bottom layer is stretched and the upper one is left to relax freely are considered for gradually increased elongation of the bottom layer. Formation energies of dislocations, dislocation width, and orientation of the boundary between commensurate domains are analyzed depending on the magnitude and direction of elongation. The second-order phase transition from the commensurate phase to the incommensurate one with multiple dislocations is predicted to take place at some critical elongation. The order parameter for this transition corresponds to the density of dislocations, which grows continuously upon increasing the elongation of the bottom layer above the critical value. In graphene and metastable boron nitride with the layers aligned in the same direction, where elementary dislocations are partial, this transition, however, is preceded by formation of the first dislocation at the elongation smaller than the critical one. The phase diagrams including this intermediate state are plotted in coordinates of the magnitude and direction of elongation of the bottom layer. © 2016 American Physical Society. Source

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