Original title: Strength and magnetism of Mn-Pt nanocomposites
Authors: Káňa, Tomáš ; Šob, Mojmír
Document type: Papers
Conference/Event: Pracovní setkání fyzikálních chemiků a elektrochemiků /12./, Brno (CZ), 2012-05-30 / 2012-05-31
Year: 2012
Language: eng
Abstract: Using ab initio electronic structure calculations, we have analysed Mn atoms dissolved in a platinum matrix, forming thus intermetallics MnPt3, MnPt7 and MnPt15 that can be considered as prototypes of natural Mn–Pt nanocomposites. On the whole, manganese addition makes the resulting Mn–Pt compound softer but increases its resistance to shape deformation. With increasing Mn content, both tensile and compressive theoretical strength is enhanced. In agreement with experiment, our calculations confirm the antiferromagnetic (AFM) ground state of the MnPt7 structure with spins directions altering along the [100] crystallographic direction (AFM [100]). In addition, we have proposed and studied three prototypes of linear MnPt15 nanocomposites consisting of Mn nanochains in the Pt matrix. Again, AFM [100] ordering was found in the ground state of MnPt15.
Keywords: ab initio; magnetism; mechanical properties; nanocomposites
Project no.: IAA100100920 (CEP), OC10008 (CEP), GAP108/12/0311 (CEP)
Funding provider: GA AV ČR, GA MŠk, GA ČR
Host item entry: XII. Pracovní setkání fyzikálních chemiků a elektrochemiků, ISBN 978-80-7375-618-5

Institution: Institute of Physics of Materials AS ČR (web)
Document availability information: Fulltext is available at the institute of the Academy of Sciences.
Original record: http://hdl.handle.net/11104/0210307

Permalink: http://www.nusl.cz/ntk/nusl-135423


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