ANOMALOUS PRESSURE-INDUCED CHANGES IN MAGNETISM OF FERRIMAGNETIC NI-MN-SN STRUCTURES

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F21%3A00128882" target="_blank" >RIV/00216224:14310/21:00128882 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.37904/nanocon.2021.4306" target="_blank" >https://doi.org/10.37904/nanocon.2021.4306</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.37904/nanocon.2021.4306" target="_blank" >10.37904/nanocon.2021.4306</a>

Jazyk výsledku

angličtina

Název v původním jazyce

ANOMALOUS PRESSURE-INDUCED CHANGES IN MAGNETISM OF FERRIMAGNETIC NI-MN-SN STRUCTURES

Popis výsledku v původním jazyce

We have performed a quantum-mechanical study of two ferrimagnetic Ni2MnSn structures, a stoichiometric one with Mn-Ni swaps and an off-stoichiometric (Ni7Mn8Sn1) alloy. We used 16-atom supercells with the atomic positions related to those in the full Heusler structure, i.e. austenite phase (unless distorted by internal distribution of point defects as in the case of Ni2MnSn with swaps). We have determined thermodynamic, magnetic and structural properties of both pressure-free states as well as those corresponding to hydrostatic pressures of a few GPa. The atomic and magnetic configurations of the studied states are found to exhibit anomalous pressure-induced changes in the total magnetic moment. In particular, the total magnetic moments per 16-atom supercells increase with increasing hydrostatic pressure. Despite this peculiar trend in the total magnetic moment, the magnitudes of local magnetic moments of Mn atoms, that are decisive for the value of the total magnetic moment, decrease with increasing hydrostatic pressure (as is common in majority of magnetic systems). The identified phenomena may be related to an interplay of a few contributing mechanisms. First, the magnetic moments of Mn atoms, that are either parallel or antiparallel to the orientation of the total magnetic moment of the supercells, nearly compensate each other due to the ferrimagnetic nature of the studied magnetic states. Second, the swapped and off-stoichiometric atoms lead to different local atomic environments of Mn atoms and, consequently, to different local magnetic moments of these atoms as well as their different response to hydrostatic pressures. Importantly, the local magnetic moments of Mn atoms, that are antiparallel to the orientation of the total magnetic moment, are more sensitive to the applied pressures. Regarding thermodynamics, the studied states are excited ones.

Název v anglickém jazyce

ANOMALOUS PRESSURE-INDUCED CHANGES IN MAGNETISM OF FERRIMAGNETIC NI-MN-SN STRUCTURES

Popis výsledku anglicky

We have performed a quantum-mechanical study of two ferrimagnetic Ni2MnSn structures, a stoichiometric one with Mn-Ni swaps and an off-stoichiometric (Ni7Mn8Sn1) alloy. We used 16-atom supercells with the atomic positions related to those in the full Heusler structure, i.e. austenite phase (unless distorted by internal distribution of point defects as in the case of Ni2MnSn with swaps). We have determined thermodynamic, magnetic and structural properties of both pressure-free states as well as those corresponding to hydrostatic pressures of a few GPa. The atomic and magnetic configurations of the studied states are found to exhibit anomalous pressure-induced changes in the total magnetic moment. In particular, the total magnetic moments per 16-atom supercells increase with increasing hydrostatic pressure. Despite this peculiar trend in the total magnetic moment, the magnitudes of local magnetic moments of Mn atoms, that are decisive for the value of the total magnetic moment, decrease with increasing hydrostatic pressure (as is common in majority of magnetic systems). The identified phenomena may be related to an interplay of a few contributing mechanisms. First, the magnetic moments of Mn atoms, that are either parallel or antiparallel to the orientation of the total magnetic moment of the supercells, nearly compensate each other due to the ferrimagnetic nature of the studied magnetic states. Second, the swapped and off-stoichiometric atoms lead to different local atomic environments of Mn atoms and, consequently, to different local magnetic moments of these atoms as well as their different response to hydrostatic pressures. Importantly, the local magnetic moments of Mn atoms, that are antiparallel to the orientation of the total magnetic moment, are more sensitive to the applied pressures. Regarding thermodynamics, the studied states are excited ones.

Druh

D - Stať ve sborníku

CEP obor

—

OECD FORD obor

10305 - Fluids and plasma physics (including surface physics)

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název statě ve sborníku

Proceedings 13th International Conference on Nanomaterials - Research & Application

ISBN

9788088365006

ISSN

2694-930X

e-ISSN

—

Počet stran výsledku

7

Strana od-do

10-16

Název nakladatele

TANGER Ltd.

Místo vydání

Ostrava

Místo konání akce

Brno

Datum konání akce

20. 10. 2021

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

—