Publikation: Monte Carlo study on magnetic nanoparticles from first principle
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2010
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Journal of Physics: Conference Series. 2010, 200(7), pp. 072103. eISSN 1742-6596. Available under: doi: 10.1088/1742-6596/200/7/072103
Zusammenfassung
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.
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530 Physik
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Condensed matter, electrical, magnetic and optical Nanoscale science and low-D systems
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BALOGH, László, Krzysztof LEBECKI, Bence LAZAROVITS, László UDVARDI, László SZUNYOGH, Ulrich NOWAK, 2010. Monte Carlo study on magnetic nanoparticles from first principle. In: Journal of Physics: Conference Series. 2010, 200(7), pp. 072103. eISSN 1742-6596. Available under: doi: 10.1088/1742-6596/200/7/072103BibTex
@article{Balogh2010-02-15Monte-9157,
year={2010},
doi={10.1088/1742-6596/200/7/072103},
title={Monte Carlo study on magnetic nanoparticles from first principle},
number={7},
volume={200},
journal={Journal of Physics: Conference Series},
author={Balogh, László and Lebecki, Krzysztof and Lazarovits, Bence and Udvardi, László and Szunyogh, László and Nowak, Ulrich}
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<dcterms:abstract xml:lang="eng">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.</dcterms:abstract>
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