Web of Science: 1 cites, Scopus: 1 cites, Google Scholar: cites
Fe–Co magnetic nanoclusters by density functional theory calculations
Cutrano, Carla (University of Ioannina)
Lekka, Christina (University of Ioannina)

Data: 2018
Resum: We present density functional theory results referring to the structural, electronic and magnetic properties of 13, 55, 147 and 309 Fe–Co (magnetic–magnetic) icosahedral nanoclusters (ICO) comparing with our previous results on Fe–Cu (magnetic–nonmagnetic). It came out that the Fe atoms always favour the edge surface sites exhibiting higher average magnetic moment (MM) for Fe and FeCo ICOs than FeCu while the local Fe MM is greater for FeCu12 and Fe6Cu49 ones. This is due to the strong hybridisation of Fe 3d–Co 3d states, while in Fe–Cu the Fe spin down states are restricted close to fermi without been affected by the corresponding Cu states. These results could be used for the design of environmental sustainable smart magnetic alloys.
Nota: Número d'acord de subvenció EC/H2020/642642
Drets: Tots els drets reservats
Llengua: Anglès.
Document: article ; recerca ; acceptedVersion
Matèria: Clusters ; Electronic properties ; Density functional theory
Publicat a: Materials Science and Technology, Vol. 34, Issue 13 (2018) , p. 1575-1581, ISSN 1743-2847

DOI: 10.1080/02670836.2018.1506728


Disponible a partir de: 2019-08-31
Postprint

El registre apareix a les col·leccions:
Documents de recerca > Documents dels grups de recerca de la UAB > Centres i grups de recerca (producció científica) > Ciències > Grup de nanoenginyeria de materials, nanomagnetisme i nanomecànica (Gnm3)
Articles > Articles de recerca
Articles > Articles publicats

 Registre creat el 2019-03-26, darrera modificació el 2019-04-26



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