Pressure-Induced Increase of the Total Magnetic Moment in
Ferrimagnetic Ni1.9375Mn1.5625Sn0.5 Martensite: A
Quantum-Mechanical Study

J 2022

Pressure-Induced Increase of the Total Magnetic Moment in Ferrimagnetic Ni1.9375Mn1.5625Sn0.5 Martensite: A Quantum-Mechanical Study

FRIÁK, Martin; Martina MAZALOVÁ; Ilja TUREK; Oldřich SCHNEEWEISS; Jiří KAŠTIL et al.

Základní údaje

Originální název

Pressure-Induced Increase of the Total Magnetic Moment in Ferrimagnetic Ni1.9375Mn1.5625Sn0.5 Martensite: A Quantum-Mechanical Study

Autoři

FRIÁK, Martin; Martina MAZALOVÁ; Ilja TUREK; Oldřich SCHNEEWEISS; Jiří KAŠTIL; Jiří KAMARÁD a Mojmír ŠOB

Vydání

Materials Transactions, Japan Institute of Metals and Materials, 2022, 1345-9678

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10302 Condensed matter physics

Stát vydavatele

Japonsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 1.200

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/22:00125503

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

Ni-Mn-Sn; magnetism; pressure; disorder; martensite; quantum-mechanical; stability; phonons

Štítky

14313010, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 3. 5. 2022 11:46, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

We have performed an ab initio study of disordered ferrimagnetic Ni1.9375Mn1.5625Sn0.5 martensite. Employing the supercell approach combined with the special quasi-random structure concept for modeling of disordered states we have determined thermodynamic, magnetic, structural, elastic and vibrational properties of the studied material. Its atomic and magnetic configuration is found to exhibit a pressure-induced increase of the total magnetic moment, i.e. the total magnetic moment increases with decreasing volume. This peculiar trend is revealed despite of the fact that the magnitudes of local magnetic moments of atoms decrease (or stay constant) with decreasing volume. The origin of the identified phenomena may be related to (i) the ferrimagnetic nature of the magnetic state when the parallel and antiparallel magnetic moments nearly compensate each other and (ii) chemical disorder that leads to different local atomic environments and, consequently, also to different local magnetic moments and their different response to hydrostatic pressures (the antiparallel moments are more sensitive). The studied state is mechanically and dynamically stable (no imaginary-frequency phonons) but, regarding its thermodynamic stability, it is an excited state.

Návaznosti

LM2018140, projekt VaV

Název: e-Infrastruktura CZ (Akronym: e-INFRA CZ)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, e-Infrastruktura CZ

Citovat

FRIÁK, Martin; Martina MAZALOVÁ; Ilja TUREK; Oldřich SCHNEEWEISS; Jiří KAŠTIL; Jiří KAMARÁD a Mojmír ŠOB. Pressure-Induced Increase of the Total Magnetic Moment in Ferrimagnetic Ni1.9375Mn1.5625Sn0.5 Martensite: A Quantum-Mechanical Study. Materials Transactions. Japan Institute of Metals and Materials, 2022, roč. 63, č. 4, s. 430-435. ISSN 1345-9678. Dostupné z: https://doi.org/10.2320/matertrans.MT-MA2022006.

@article{1840411,
   author = {Friák, Martin and Mazalová, Martina and Turek, Ilja and Schneeweiss, Oldřich and Kaštil, Jiří and Kamarád, Jiří and Šob, Mojmír},
   article_number = {4},
   doi = {https://doi.org/10.2320/matertrans.MT-MA2022006},
   keywords = {Ni-Mn-Sn; magnetism; pressure; disorder; martensite; quantum-mechanical; stability; phonons},
   language = {eng},
   issn = {1345-9678},
   journal = {Materials Transactions},
   title = {Pressure-Induced Increase of the Total Magnetic Moment in Ferrimagnetic Ni1.9375Mn1.5625Sn0.5 Martensite: A Quantum-Mechanical Study},
   url = {https://www.jstage.jst.go.jp/article/matertrans/advpub/0/advpub_MT-MA2022006/_article},
   volume = {63},
   year = {2022}
}

TY  - JOUR
ID  - 1840411
AU  - Friák, Martin - Mazalová, Martina - Turek, Ilja - Schneeweiss, Oldřich - Kaštil, Jiří - Kamarád, Jiří - Šob, Mojmír
PY  - 2022
TI  - Pressure-Induced Increase of the Total Magnetic Moment in Ferrimagnetic Ni1.9375Mn1.5625Sn0.5 Martensite: A Quantum-Mechanical Study
JF  - Materials Transactions
VL  - 63
IS  - 4
SP  - 430-435
EP  - 430-435
PB  - Japan Institute of Metals and Materials
SN  - 13459678
KW  - Ni-Mn-Sn
KW  - magnetism
KW  - pressure
KW  - disorder
KW  - martensite
KW  - quantum-mechanical
KW  - stability
KW  - phonons
UR  - https://www.jstage.jst.go.jp/article/matertrans/advpub/0/advpub_MT-MA2022006/_article
N2  - We have performed an ab initio study of disordered ferrimagnetic Ni1.9375Mn1.5625Sn0.5 martensite. Employing the supercell approach combined with the special quasi-random structure concept for modeling of disordered states we have determined thermodynamic, magnetic, structural, elastic and vibrational properties of the studied material. Its atomic and magnetic configuration is found to exhibit a pressure-induced increase of the total magnetic moment, i.e. the total magnetic moment increases with decreasing volume. This peculiar trend is revealed despite of the fact that the magnitudes of local magnetic moments of atoms decrease (or stay constant) with decreasing volume. The origin of the identified phenomena may be related to (i) the ferrimagnetic nature of the magnetic state when the parallel and antiparallel magnetic moments nearly compensate each other and (ii) chemical disorder that leads to different local atomic environments and, consequently, also to different local magnetic moments and their different response to hydrostatic pressures (the antiparallel moments are more sensitive). The studied state is mechanically and dynamically stable (no imaginary-frequency phonons) but, regarding its thermodynamic stability, it is an excited state.
ER  -

FRIÁK, Martin; Martina MAZALOVÁ; Ilja TUREK; Oldřich SCHNEEWEISS; Jiří KAŠTIL; Jiří KAMARÁD a Mojmír ŠOB. Pressure-Induced Increase of the Total Magnetic Moment in Ferrimagnetic Ni1.9375Mn1.5625Sn0.5 Martensite: A Quantum-Mechanical Study. \textit{Materials Transactions}. Japan Institute of Metals and Materials, 2022, roč.~63, č.~4, s.~430-435. ISSN~1345-9678. Dostupné z: https://doi.org/10.2320/matertrans.MT-MA2022006.

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