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Atomic Ordering in Nano-layered FePt: Multiscale Monte Carlo Simulation

Published online by Cambridge University Press:  31 January 2011

Rafal Kozubski ,
Miroslaw Kozlowski ,
Jan Wrobel ,
Tomasz Wejrzanowski ,
Krzysztof J Kurzydlowski ,
Christine Goyhenex ,
Veronique Pierron-Bohnes ,
Marcus Rennhofer  and
Savko Malinov
Rafal Kozubski
Affiliation:
[email protected], Jagellonian University, Interdisciplinary Centre for Materials Modelling, Krakow, Poland
Miroslaw Kozlowski
Affiliation:
[email protected], Jagellonian University, Interdisciplinary Centre for Materials Modelling, Krakow, Poland
Jan Wrobel
Affiliation:
[email protected], Warsaw University of Technology, Interdisciplinary Centre for Materials Modelling, Faculty of Materials Science and Engineering, Warsaw, Poland
Tomasz Wejrzanowski
Affiliation:
[email protected], Warsaw University of Technology, Interdisciplinary Centre for Materials Modelling, Faculty of Materials Science and Engineering, Warsaw, Poland
Krzysztof J Kurzydlowski
Affiliation:
[email protected], Warsaw University of Technology, Interdisciplinary Centre for Materials Modelling, Faculty of Materials Science and Engineering, Warsaw, Poland
Christine Goyhenex
Affiliation:
[email protected], IPCMS, Strasbourg, France
Veronique Pierron-Bohnes
Affiliation:
[email protected], IPCMS, Strasbourg, France
Marcus Rennhofer
Affiliation:
[email protected], Vienna University, Faculty of Physics, Vienna, Austria
Savko Malinov
Affiliation:
[email protected], Queen's University Belfast, School of Mechanical and Aerospace Engineering, Belfast, United Kingdom
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Abstract

Combined nano- and mesoscale simulation of chemical ordering kinetics in nano-layered L10 AB binary system was performed. In the nano- (atomistic) scale Monte Carlo (MC) technique with vacancy mechanism of atomic migration was implemented with diverse system models. The mesoscale microstructure evolution was, in turn, modeled by means of MC procedure simulating antiphase boundary (APB) motion as controlled by APB energies evaluated within the nano-scale simulations. The study addressed FePt thin layers considered as a material for ultra-high density magnetic storage media and revealed metastability of the L10 c-variant superstructure with monoatomic planes parallel to the (001) free surface and off-plane easy magnetization. The layers, initially perfectly ordered in the L10 c-variant, showed homogenous disordering running in parallel with a spontaneous re-orientation of the monoatomic planes into a mosaic-microstructure composed of L10 a- and b-variant domains with (100)- and (010)-type monoatomic planes, respectively. The domains nucleated heterogeneously on the Fe free surface of the layer, grew discontinuously inwards its volume and finally relaxed generating an equilibrium microstructure of the system. Two �atomistic-scale� processes: (i) homogenous disordering and (ii) nucleation of the L10 a- and b-variant domains showed characteristic time scales. The same was observed for the meso-scale processes: (i) heterogeneous L10 variant domain growth and (ii) domain microstructure relaxation. The above phenomena modelled within the present study by means of multiscale MC simulations have recently been observed experimentally in epitaxially deposited thin films of FePt.

Keywords

interatomic arrangementsthin filmsimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1177: Symposium Z – Computational Nanoscience–How to Exploit Synergy between Predictive Simulations and Experiment , 2009 , 1177-Z09-03
Copyright
Copyright © Materials Research Society 2009

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