The impact of disorder on the 4O-martensite of Ni-Mn-Sn Heusler
alloy

J 2022

The impact of disorder on the 4O-martensite of Ni-Mn-Sn Heusler alloy

FRIÁK, Martin, Martin ZELENÝ, Martina MAZALOVÁ, Ivana MIHÁLIKOVÁ, Ilja TUREK et. al.

Basic information

Original name

The impact of disorder on the 4O-martensite of Ni-Mn-Sn Heusler alloy

Authors

FRIÁK, Martin, Martin ZELENÝ, Martina MAZALOVÁ (203 Czech Republic, belonging to the institution), Ivana MIHÁLIKOVÁ (703 Slovakia, belonging to the institution), Ilja TUREK, Jiří KAŠTIL, Jiří KAMARÁD, Martin MÍŠEK, Zdeněk ARNOLD, Oldřich SCHNEEWEISS and Mojmír ŠOB (203 Czech Republic, belonging to the institution)

Edition

Intermetallics, Oxford, Elsevier Science, 2022, 0966-9795

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10403 Physical chemistry

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

URL

Impact factor

Impact factor: 4.400

RIV identification code

RIV/00216224:14310/22:00127030

Organization unit

Faculty of Science

DOI

http://dx.doi.org/10.1016/j.intermet.2022.107708

UT WoS

000856093100002

Keywords in English

Ni-Mn-Sn; martensite; modulation; magnetism; ab initio; phonons; elasticity PACS; 63.50.+x; 75.50.Gg; 64.30.Ef; 62.20.Dc

Abstract

V originále

We have performed a quantum-mechanical study of thermodynamic, elastic, magnetic and structural properties of four different ferrimagnetic states in Ni1.9375Mn1.5625Sn0.5 martensite. They are modeled by the four-layer modulated 4O structures with Mn-excess atoms randomly distributed in Ni and Sn sublattices. The Mn atoms at the Ni sublattice turn out to be decisive for both thermodynamic and magnetic properties. A reversal of the orientation of their local magnetic moments has a huge impact on the properties of the whole system. The lowest-energy configuration exhibits anti-parallel local magnetic moments of these Mn atoms with respect to the orientation of the total magnetic moment. By testing both elastic properties and phonon modes we conclude that the lowest-energy state is mechanically stable. Vibrational properties of individual atoms are found to be very sensitive to the chemical disorder.

Links

LM2018140, research and development project

Name: e-Infrastruktura CZ (Acronym: e-INFRA CZ)

Investor: Ministry of Education, Youth and Sports of the CR

Citovat

FRIÁK, Martin, Martin ZELENÝ, Martina MAZALOVÁ, Ivana MIHÁLIKOVÁ, Ilja TUREK, Jiří KAŠTIL, Jiří KAMARÁD, Martin MÍŠEK, Zdeněk ARNOLD, Oldřich SCHNEEWEISS and Mojmír ŠOB. The impact of disorder on the 4O-martensite of Ni-Mn-Sn Heusler alloy. Intermetallics. Oxford: Elsevier Science, 2022, vol. 151, December, p. 1-11. ISSN 0966-9795. Available from: https://dx.doi.org/10.1016/j.intermet.2022.107708.

@article{2227377,
   author = {Friák, Martin and Zelený, Martin and Mazalová, Martina and Miháliková, Ivana and Turek, Ilja and Kaštil, Jiří and Kamarád, Jiří and Míšek, Martin and Arnold, Zdeněk and Schneeweiss, Oldřich and Šob, Mojmír},
   article_location = {Oxford},
   article_number = {December},
   doi = {http://dx.doi.org/10.1016/j.intermet.2022.107708},
   keywords = {Ni-Mn-Sn; martensite; modulation; magnetism; ab initio; phonons; elasticity PACS; 63.50.+x; 75.50.Gg; 64.30.Ef; 62.20.Dc},
   language = {eng},
   issn = {0966-9795},
   journal = {Intermetallics},
   title = {The impact of disorder on the 4O-martensite of Ni-Mn-Sn Heusler alloy},
   url = {https://www.sciencedirect.com/science/article/pii/S0966979522002497?via%3Dihub},
   volume = {151},
   year = {2022}
}

TY  - JOUR
ID  - 2227377
AU  - Friák, Martin - Zelený, Martin - Mazalová, Martina - Miháliková, Ivana - Turek, Ilja - Kaštil, Jiří - Kamarád, Jiří - Míšek, Martin - Arnold, Zdeněk - Schneeweiss, Oldřich - Šob, Mojmír
PY  - 2022
TI  - The impact of disorder on the 4O-martensite of Ni-Mn-Sn Heusler alloy
JF  - Intermetallics
VL  - 151
IS  - December
SP  - 1-11
EP  - 1-11
PB  - Elsevier Science
SN  - 09669795
KW  - Ni-Mn-Sn
KW  - martensite
KW  - modulation
KW  - magnetism
KW  - ab initio
KW  - phonons
KW  - elasticity PACS
KW  - 63.50.+x
KW  - 75.50.Gg
KW  - 64.30.Ef
KW  - 62.20.Dc
UR  - https://www.sciencedirect.com/science/article/pii/S0966979522002497?via%3Dihub
N2  - We have performed a quantum-mechanical study of thermodynamic, elastic, magnetic and structural properties of four different ferrimagnetic states in Ni1.9375Mn1.5625Sn0.5 martensite. They are modeled by the four-layer modulated 4O structures with Mn-excess atoms randomly distributed in Ni and Sn sublattices. The Mn atoms at the Ni sublattice turn out to be decisive for both thermodynamic and magnetic properties. A reversal of the orientation of their local magnetic moments has a huge impact on the properties of the whole system. The lowest-energy configuration exhibits anti-parallel local magnetic moments of these Mn atoms with respect to the orientation of the total magnetic moment. By testing both elastic properties and phonon modes we conclude that the lowest-energy state is mechanically stable. Vibrational properties of individual atoms are found to be very sensitive to the chemical disorder.
ER  -

FRIÁK, Martin, Martin ZELENÝ, Martina MAZALOVÁ, Ivana MIHÁLIKOVÁ, Ilja TUREK, Jiří KAŠTIL, Jiří KAMARÁD, Martin MÍŠEK, Zdeněk ARNOLD, Oldřich SCHNEEWEISS and Mojmír ŠOB. The impact of disorder on the 4O-martensite of Ni-Mn-Sn Heusler alloy. \textit{Intermetallics}. Oxford: Elsevier Science, 2022, vol.~151, December, p.~1-11. ISSN~0966-9795. Available from: https://dx.doi.org/10.1016/j.intermet.2022.107708.

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