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Electron properties of 13-atom nanoparticle superlattices

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dc.contributor.authorKurelchuk, U. N.
dc.contributor.authorBorisyuk, P. V.
dc.contributor.authorVasilyev, O. S.
dc.contributor.authorКурельчук, Ульяна Николаевна
dc.contributor.authorБорисюк, Петр Викторович
dc.contributor.authorВасильев, Олег Станиславович
dc.date.accessioned2024-11-25T15:08:31Z
dc.date.available2024-11-25T15:08:31Z
dc.date.issued2020
dc.description.abstract© 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.
dc.identifier.citationKurelchuk, U. N. Electron properties of 13-atom nanoparticle superlattices / Kurelchuk, U.N., Borisyuk, P.V., Vasilyev, O.S. // Materials Letters. - 2020. - 262. - 10.1016/j.matlet.2019.127100
dc.identifier.doi10.1016/j.matlet.2019.127100
dc.identifier.urihttps://www.doi.org/10.1016/j.matlet.2019.127100
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85076631000&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000506197600044
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/20088
dc.relation.ispartofMaterials Letters
dc.titleElectron properties of 13-atom nanoparticle superlattices
dc.typeArticle
dspace.entity.typePublication
oaire.citation.volume262
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