Elucidating the connection between shape and properties is a challenging but essential task for a rational design of nanoparticles at the atomic level. As a paradigmatic example we investigate how geometry can influence the magnetic properties of nanoparticles, focusing in particular on platinum clusters of 1-2 nm in size. Through first-principle calculations, we have found that the total magnetization depends strongly on the local atomic arrangements. This is due to a contraction of the nearest neighbor distance together with an elongation of the second nearest neighbor distance, resulting in an interatomic partial charge transfer from the atoms lying on the subsurface layer (donors) toward the vertexes (acceptors).
Geometrical Effects on the Magnetic Properties of Nanoparticles / C. Di Paola, R. D'Agosta, F. Baletto. - In: NANO LETTERS. - ISSN 1530-6984. - 16:4(2016), pp. 2885-2889. [10.1021/acs.nanolett.6b00916]
Geometrical Effects on the Magnetic Properties of Nanoparticles
F. Baletto
2016
Abstract
Elucidating the connection between shape and properties is a challenging but essential task for a rational design of nanoparticles at the atomic level. As a paradigmatic example we investigate how geometry can influence the magnetic properties of nanoparticles, focusing in particular on platinum clusters of 1-2 nm in size. Through first-principle calculations, we have found that the total magnetization depends strongly on the local atomic arrangements. This is due to a contraction of the nearest neighbor distance together with an elongation of the second nearest neighbor distance, resulting in an interatomic partial charge transfer from the atoms lying on the subsurface layer (donors) toward the vertexes (acceptors).File | Dimensione | Formato | |
---|---|---|---|
NanoLetters_16_2885.pdf
accesso aperto
Tipologia:
Post-print, accepted manuscript ecc. (versione accettata dall'editore)
Dimensione
1.79 MB
Formato
Adobe PDF
|
1.79 MB | Adobe PDF | Visualizza/Apri |
acs.nanolett.6b00916.pdf
accesso aperto
Tipologia:
Publisher's version/PDF
Dimensione
1.83 MB
Formato
Adobe PDF
|
1.83 MB | Adobe PDF | Visualizza/Apri |
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.