Interdependence of shape and magnetic properties in Al-nanoparticles doped with Ni and Pt

Abstract

By means of ab initio molecular dynamics, we investigate the magnetic behaviour of Al, AlNi and AlPt nanoparticles of 19 atoms. New geometrical shapes are detected and a depression of the total magnetization is associated with geometrical reconstructions where the fivefold symmetry character is lost, independently of the chemical doping.