Impact of swaps on Mössbauer characteristics of Ni2MnSn: an experimental and quantum-mechanical study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F24%3A00584960" target="_blank" >RIV/68081723:_____/24:00584960 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/24:00584960

Výsledek na webu

<a href="https://link.springer.com/article/10.1007/s10853-024-09515-6" target="_blank" >https://link.springer.com/article/10.1007/s10853-024-09515-6</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10853-024-09515-6" target="_blank" >10.1007/s10853-024-09515-6</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Impact of swaps on Mössbauer characteristics of Ni2MnSn: an experimental and quantum-mechanical study

Popis výsledku v původním jazyce

We report on a combined experimental and theoretical study of stoichiometric Heusler-structure Ni2MnSn. Our detected Mössbauer spectrum of Sn atoms can be fitted as a combination of four components. As only a single component is expected in the defect-free Ni2MnSn, we have performed quantum-mechanical calculations of Ni2MnSn with selected point defects, in particular, all three fundamental types of swaps (Mn–Ni, Mn–Sn and Ni–Sn). Our phonon and elasticity calculations indicate that the swaps result in (i) magnitudes of local magnetic moments of Sn atoms within four ranges of values and (ii) mean square displacements of Sn atoms falling within four intervals of values. Further, we used calculations of phonons and elastic properties to assess mechanical, dynamical and thermodynamic stability of swap-containing states. Our results indicate that a majority of the studied swaps is reducing the stability of Ni2MnSn and need to be stabilized by the surrounding matrix.

Název v anglickém jazyce

Impact of swaps on Mössbauer characteristics of Ni2MnSn: an experimental and quantum-mechanical study

Popis výsledku anglicky

We report on a combined experimental and theoretical study of stoichiometric Heusler-structure Ni2MnSn. Our detected Mössbauer spectrum of Sn atoms can be fitted as a combination of four components. As only a single component is expected in the defect-free Ni2MnSn, we have performed quantum-mechanical calculations of Ni2MnSn with selected point defects, in particular, all three fundamental types of swaps (Mn–Ni, Mn–Sn and Ni–Sn). Our phonon and elasticity calculations indicate that the swaps result in (i) magnitudes of local magnetic moments of Sn atoms within four ranges of values and (ii) mean square displacements of Sn atoms falling within four intervals of values. Further, we used calculations of phonons and elastic properties to assess mechanical, dynamical and thermodynamic stability of swap-containing states. Our results indicate that a majority of the studied swaps is reducing the stability of Ni2MnSn and need to be stabilized by the surrounding matrix.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/GA20-16130S" target="_blank" >GA20-16130S: Multifunkční vlastnosti práškovaných intermetalických slitin Ni-Mn-Sn</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

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

Název periodika

Journal of Materials Science

ISSN

0022-2461

e-ISSN

1573-4803

Svazek periodika

59

Číslo periodika v rámci svazku

13

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

5595-5606

Kód UT WoS článku

001265093200008

EID výsledku v databázi Scopus

2-s2.0-85188056391