Fyzikální ústav Akademie věd ČR

Ab initio study of piezomagnetic effect in Mn-antiperovskites

Seminář Pondělí, 01.12.2014 10:00 - 11:00

Přednášející: Jan Zemen (Blackett Laboratory, Imperial College London)
Místo: Zasedačka v budově B, FzÚ AVČR, Cukrovarnická 10, Praha 6
Jazyk: anglicky
Pořadatelé: Oddělení spintroniky a nanoelektroniky

The magnetocaloric and magnetoelastic coupling that often occur together in magnetically frustrated materials have a great potential for practical applications ranging from magnetic refrigeration to data processing and storage. Negative thermal expansion (NTE) close to the Néel temperature and a large magnetovolume effect have been measured recently in Mn3NiN using temperature dependent neutron powder diffraction [J. Appl. Phys. 114, 123902 (2013)]. This theoretical work comprises a comparative study of the piezomagnetic effect in three closely related Mn3XN (X = Ni, Sn, In) antiperovskites, based on the foundations of a recent DFT model [Phys. Rev. B 88, 024417 (2013)] of anisotropic thermal expansions and large magnetoelastic coupling. It relies on the framework of the projector augmented-wave (PAW) method as implemented in the VASP code.

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