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Geometrical Effects on the Magnetic Properties of Nanoparticles

Research output: Contribution to journalArticle

Original languageEnglish
Pages (from-to)2885–2889
Number of pages5
JournalNano Letters
Issue number4
Early online date23 Mar 2016
Accepted/In press22 Mar 2016
E-pub ahead of print23 Mar 2016


King's Authors


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).

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