Gruner, Markus; Rollmann, Georg; Entel, Peter:
Large-Scale First-Principles Calculations of Magnetic Nanoparticles
In: NIC Symposium 2008 / Münster, Gernot; Wolf, Dietrich; Kremer, Manfred (Eds.). - Jülich: John von Neumann Institute for Computing, 2008, pp. 161 - 168
2008book article/chapter in collection
Physics (incl. Astronomy)
thp
Title:
Large-Scale First-Principles Calculations of Magnetic Nanoparticles
Author:
Gruner, MarkusUDE
GND
128899808
LSF ID
10281
ORCID
0000-0002-2306-1258ORCID iD
Other
connected with university
;Rollmann, Georg;Entel, PeterUDE
LSF ID
1127
Other
connected with university
WWW URL:
http://www.fz-juelich.de/nic-series/volume39/gruner.pdf
Appears in
NIC Symposium 2008
Editor:
Münster, Gernot;Wolf, Dietrich
LSF ID
1114
;Kremer, Manfred
Place of publication:
Jülich
Publisher:
John von Neumann Institute for Computing
Year of publication:
2008
in:
pp. 161 - 168
ISBN
978-3-9810843-5-1

Abstract:

Modern supercomputers as the IBM Blue Gene/L provide the possibility to investigate large systems containing several hundred transition metal atoms. We present results on two examples, the size dependent evolution of structure and magnetism of elemental iron nanoparticles and the identification of structural comparison of competing morphologies of near-stoichiometric Fe-Pt and Co-Pt nanoparticles, which are currently discussed as media for future ultra-high density recording applications.