Monte Carlo study on magnetic nanoparticles from first principle

Laszló Balogh, Kristof M. Lebecki, B. Lazarovits, L. Udvardi, L. Szunyogh, Ulrich Nowak

Research output: Contribution to journalArticle

Abstract

In order to study the finite temperature behavior of magnetic nanoparticles a novel Monte Carlo method has been developed. The energy of a new trial configuration during the simulation is calculated directly from the expansion of the band energy avoiding a set up of an a priori Heisenberg-type model. The electronic structure of the cluster is determined by means of the embedded-cluster Green's function technique based on the Korringa-Kohn-Rostoker method within the local spin-density approximation of the density functional theory. As a benchmark the ground state of anti-ferromagnetic clusters and the temperature dependence of the magnetization of a flat square cluster of 16 Co atoms on a Cu(001) surface have been studied.

Original languageEnglish
Article number072103
JournalJournal of Physics: Conference Series
Volume200
Issue numberSECTION 7
DOIs
Publication statusPublished - 2010

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nanoparticles
energy bands
Monte Carlo method
Green's functions
density functional theory
electronic structure
magnetization
temperature dependence
expansion
ground state
configurations
approximation
atoms
simulation
temperature
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Monte Carlo study on magnetic nanoparticles from first principle. / Balogh, Laszló; Lebecki, Kristof M.; Lazarovits, B.; Udvardi, L.; Szunyogh, L.; Nowak, Ulrich.

In: Journal of Physics: Conference Series, Vol. 200, No. SECTION 7, 072103, 2010.

Research output: Contribution to journalArticle

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