Персона: Курельчук, Ульяна Николаевна
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Институт лазерных и плазменных технологий
Стратегическая цель Института ЛаПлаз – стать ведущей научной школой и ядром развития инноваций по лазерным, плазменным, радиационным и ускорительным технологиям, с уникальными образовательными программами, востребованными на российском и мировом рынке образовательных услуг.
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Курельчук
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Ульяна Николаевна
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- ПубликацияОткрытый доступThermoelectric properties of the metallic nanoclustered model material(2019) Kurelchuk, U. N.; Vasilyev, O. S.; Borisyuk, P. V.; Курельчук, Ульяна Николаевна; Васильев, Олег Станиславович; Борисюк, Петр Викторович© Published under licence by IOP Publishing Ltd.In this work the Seebeck coefficient of simple model of nanoclustered material with respect to bulk form was investigated. The first-principle calculation of Seebeck coefficient of the bulk and model nanoclustered form of Ta was performed via semiclassical Boltzmann transport approximation with constant relaxation time, using first-principal bandstructure calculated in density functional theory. 5-15-times increasing of Seebeck coefficient was estimated for simple model of nanoclustered material.
- ПубликацияОткрытый доступStructure and electronic properties of small gold clusters(2019) Kurelchuk, U. N.; Vasilyev, O. S.; Borisyuk, P. V.; Курельчук, Ульяна Николаевна; Васильев, Олег Станиславович; Борисюк, Петр Викторович© Published under licence by IOP Publishing Ltd.Structure and electronic properties of small Au nanoclusters study was performed using density functional theory with pseudopotential in relativistic approximation. Density of states of the valence band, projected density of states was calculated, Bader charge density analysis is presented. The spatial behavior of the density of states was studied. Charge-momentum spatial anisotropy observed in symmetrical nanoclusters, electronic states on Fermi level of 1nm clusters founded to be caused mostly by d5/2 surface states.
- ПубликацияТолько метаданныеElectron properties of 13-atom nanoparticle superlattices(2020) Kurelchuk, U. N.; Borisyuk, P. V.; Vasilyev, O. S.; Курельчук, Ульяна Николаевна; Борисюк, Петр Викторович; Васильев, Олег Станиславович© 2019 Elsevier B.V.A density functional theory (DFT) study of electronic properties and Seebeck coefficient S of d-metal (Au, Ag, Pt, Pd, Ta) 13-atom nanoparticle superlattices is presented. The geometry optimization, calculations of electronic structure and density of electron states (DOS) was performed in DFT generalized gradient approximation in Perdiew-Burke-Ernzerhoff form (GGA-PBE) with full relativistic pseudopotentials. From the band structure S values are calculated using semi-classical Boltzmann equation in τ approximation. A size-dependent appearance of features in DOS near Fermi level is shown. The influence of these features on S is discussed. Potential usage of such model materials with strong DOS features near Fermi level as a source of varied energy monochromatic photons in metal insulator semiconductor structures for resonant excitation of long-lived forbidden states, including nuclear ones is discussed.