Strength and magnetism of Mn-Pt nanocomposites

0379022 - ÚFM 2013 RIV CZ eng K - Konferenční příspěvek (tuzemská konf.)
Káňa, Tomáš - Šob, Mojmír
Strength and magnetism of Mn-Pt nanocomposites.
XII. Pracovní setkání fyzikálních chemiků a elektrochemiků. Brno: Mendelova univerzita v Brně, 2012 - (Trnková, L.; Kizek, R.; Hubálek, J.; Adam, V.), s. 90-93. ISBN 978-80-7375-618-5.
[Pracovní setkání fyzikálních chemiků a elektrochemiků /12./. Brno (CZ), 30.05.2012-31.05.2012]
Grant CEP: GA AV ČR IAA100100920; GA MŠMT(CZ) OC10008; GA ČR(CZ) GAP108/12/0311
Institucionální podpora: RVO:68081723
Klíčová slova: nanocomposites * ab initio * mechanical properties * magnetism
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus

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.
Trvalý link: http://hdl.handle.net/11104/0210307