Geometrical Effects on the Magnetic Properties of Nanoparticles

TY - JOUR

T1 - Geometrical Effects on the Magnetic Properties of Nanoparticles

AU - Di Paola, Cono

AU - D'Agosta, Roberto

AU - Baletto, Francesca Chiara Maria

PY - 2016/4/13

Y1 - 2016/4/13

N2 - 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).

AB - 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).

KW - Platinum,

KW - nanoclusters

KW - deformation

KW - geometry

KW - magnetism

U2 - 10.1021/acs.nanolett.6b00916

DO - 10.1021/acs.nanolett.6b00916

M3 - Article

SN - 1530-6984

VL - 16

SP - 2885

EP - 2889

JO - Nano Letters

JF - Nano Letters

IS - 4

ER -