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Structure and electronic properties of small gold clusters

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dc.contributor.authorKurelchuk, U. N.
dc.contributor.authorVasilyev, O. S.
dc.contributor.authorBorisyuk, P. V.
dc.contributor.authorКурельчук, Ульяна Николаевна
dc.contributor.authorВасильев, Олег Станиславович
dc.contributor.authorБорисюк, Петр Викторович
dc.date.accessioned2024-11-21T10:44:54Z
dc.date.available2024-11-21T10:44:54Z
dc.date.issued2019
dc.description.abstract© 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.
dc.identifier.citationKurelchuk, U. N. Structure and electronic properties of small gold clusters / Kurelchuk, U.N., Vasilyev, O.S., Borisyuk, P.V. // Journal of Physics: Conference Series. - 2019. - 1238. - № 1. - 10.1088/1742-6596/1238/1/012021
dc.identifier.doi10.1088/1742-6596/1238/1/012021
dc.identifier.urihttps://www.doi.org/10.1088/1742-6596/1238/1/012021
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85069961066&origin=resultslist
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/18489
dc.relation.ispartofJournal of Physics: Conference Series
dc.titleStructure and electronic properties of small gold clusters
dc.typeConference Paper
dspace.entity.typePublication
oaire.citation.issue1
oaire.citation.volume1238
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