Size-dependent Curie temperature of Ni nanoparticles from spin-lattice dynamics simulations.

ABSTRACT: The magnetic properties of Ni nanoparticles (NPs) with diameter D are investigated using spin-lattice dynamics (SLD) simulations. Using exchange interactions fitted to ab-initio results we obtain a Curie temperature, T c , similar, but lower, than experiments. In order to reproduce quantitatively the bulk Curie temperature and the experimental results, the exchange energy has to be increased by 25% compared to the ab-initio value. During the simulated time, Ni NPs remain ferromagnetic down to the smallest sizes investigated here, containing around 500 atoms. The average magnetic moment of the NPs is slightly smaller than that determined experimentally. By considering a core-shell model for NPs, in which the shell atoms are assigned a larger magnetic moment, this discrepancy can be removed

SUBMITTER: Dos Santos G 

PROVIDER: S-EPMC11422501 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature