Atomistic simulation of finite-temperature magnetism of nanoparticles: Application to cobalt clusters on Au(111)

Lászlóffy, András and Udvardi, László and Szunyogh, László (2017) Atomistic simulation of finite-temperature magnetism of nanoparticles: Application to cobalt clusters on Au(111). PHYSICAL REVIEW B, 95 (18). ISSN 2469-9950

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Abstract

We developed a technique to determine suitable spin models for small embedded clusters of arbitrary geometry by combining the spin-cluster expansion with the relativistic disordered local moment scheme. We present results for uncovered and covered hexagonal Co clusters on Au(111) surface, and use classical Monte Carlo simulations to study the temperature dependent properties of the systems. To test the new method we compare the calculated spin-model parameters of the uncovered clusters with those of a Co monolayer deposited on Au(111). In general, the isotropic and Dzyaloshinsky-Moriya interactions are larger between atoms at the perimeter than at the center of the clusters. For Co clusters covered by Au, both the contribution to the magnetic anisotropy and the easy axis direction of the perimeter atoms differ from those of the inner atoms due to reduced symmetry. We investigate the spin reversals of the covered clusters with perpendicular magnetic anisotropy and based on the variance of the magnetization component parallel to the easy direction we suggest a technique to determine the blocking temperature of superparamagnetic particles. We also determine the Neel relaxation time from the Monte Carlo simulations and find that it satisfies the Neel-Arrhenius law with an energy barrier close to the magnetic anisotropy energy of the clusters.

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