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Spin-lattice dynamics of surface vs core magnetization in Fe nanoparticles

Journal Article · · Applied Physics Letters
DOI:https://doi.org/10.1063/5.0055606· OSTI ID:1817708
 [1];  [2];  [1];  [3];  [4];  [2]
  1. Univ. de Mendoza (Argentina)
  2. Univ. Kaiserslautern (Germany)
  3. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  4. Universidad de Mendoza (Argentina); Universidad Major, Santiago (Chile)
+ Show Author Affiliations

Magnetization of clusters is often simulated using atomistic spin dynamics for a fixed lattice. Coupled spinlattice dynamics simulations of the magnetization of nanoparticles have up to now neglected the change in the size of the atomic magnetic moments near surfaces. We show that the introduction of variable magnetic moments leads to a better description of experimental data for the magnetization of small Fe nanoparticles. To this end we divide atoms into a surface-near shell and a core with bulk properties. Here, it is demonstrated that both the magnitude of the shell magnetic moment and the exchange interactions need to be modified to obtain a fair representation of the experimental data. This allows for a reasonable description of the average magnetic moment versus cluster size, and also the cluster magnetization versus temperature.

Research Organization:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA); German Research Foundation (DFG)
Grant/Contract Number:
NA0003525
OSTI ID:
1817708
Alternate ID(s):
OSTI ID: 1806363
Report Number(s):
SAND--2021-8891J; 697603
Journal Information:
Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 1 Vol. 119; ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

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71 CLASSICAL AND QUANTUM MECHANICS
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