Impact of magnetic and antisite disorder on the vibrational
densities of states in Ni2MnSn Heusler alloys

J 2022

Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloys

MIROSHKINA, Olga N., Benedikt EGGERT, Johanna LILL, Benedikt BECKMANN, David KOCH et. al.

Základní údaje

Originální název

Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloys

Autoři

MIROSHKINA, Olga N. (garant), Benedikt EGGERT, Johanna LILL, Benedikt BECKMANN, David KOCH, Michael Y. HU, Tobias LOJEWSKI, Simon RAULS, Franziska SCHEIBEL, Andreas TAUBEL, Mojmír ŠOB (203 Česká republika, domácí), Katharina OLLEFS, Oliver GUTFLEISCH, Heiko WENDE, Markus E. GRUNER a Martin FRIAK

Vydání

Physical Review B, The American Physical Society, 2022, 2469-9950

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10302 Condensed matter physics

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 3.700

Kód RIV

RIV/00216224:14310/22:00128033

Organizační jednotka

Přírodovědecká fakulta

DOI

http://dx.doi.org/10.1103/PhysRevB.106.214302

UT WoS

000893233700003

Klíčová slova anglicky

Lattice dynamics; Magnetic order; Structural properties; Heusler alloy; Density functional theory; Inelastic X-ray scattering; Mössbauer spectroscopy

Štítky

rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 17. 1. 2023 11:07, Mgr. Marie Šípková, DiS.

Anotace

V originále

We have performed a combined experimental and theoretical investigation of the vibrational properties of Ni2MnSn Heusler alloys. Sn-partial vibrational density of states (VDOS) of Sn119 was measured by nuclear resonant inelastic x-ray scattering at temperatures of 15 and 300 K, while magnetism and local environment of Sn was resolved by Sn119 Mössbauer spectroscopy. Using density functional theory, we associate the peaks in the VDOS with particular features in the element-resolved phonon dispersion of L21 ordered Ni2MnSn. The good agreement between theory and experiment in the low-energy region provides the evidence that the inversion of optical modes at Γ involving the displacement of Ni and the heavier main group element atoms, which was predicted previously for other Ni-Mn-based Heusler compounds, is also a characteristic property of Ni2MnSn. Introducing different types of magnetic and antisite disorder in our calculations results in a distinctive redistribution and broadening of the Sn-VDOS, suggesting that considering partial disorder further improves the agreement with the experiment in particular at the highest phonon energies.

Návaznosti

LM2018140, projekt VaV

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

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

Citovat

MIROSHKINA, Olga N., Benedikt EGGERT, Johanna LILL, Benedikt BECKMANN, David KOCH, Michael Y. HU, Tobias LOJEWSKI, Simon RAULS, Franziska SCHEIBEL, Andreas TAUBEL, Mojmír ŠOB, Katharina OLLEFS, Oliver GUTFLEISCH, Heiko WENDE, Markus E. GRUNER a Martin FRIAK. Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloys. Physical Review B. The American Physical Society, 2022, roč. 106, č. 21, s. 1-13. ISSN 2469-9950. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.106.214302.

@article{2247309,
   author = {Miroshkina, Olga N. and Eggert, Benedikt and Lill, Johanna and Beckmann, Benedikt and Koch, David and Hu, Michael Y. and Lojewski, Tobias and Rauls, Simon and Scheibel, Franziska and Taubel, Andreas and Šob, Mojmír and Ollefs, Katharina and Gutfleisch, Oliver and Wende, Heiko and Gruner, Markus E. and Friak, Martin},
   article_number = {21},
   doi = {http://dx.doi.org/10.1103/PhysRevB.106.214302},
   keywords = {Lattice dynamics; Magnetic order; Structural properties; Heusler alloy; Density functional theory; Inelastic X-ray scattering; Mössbauer spectroscopy},
   language = {eng},
   issn = {2469-9950},
   journal = {Physical Review B},
   title = {Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloys},
   url = {https://doi.org/10.1103/PhysRevB.106.214302},
   volume = {106},
   year = {2022}
}

TY  - JOUR
ID  - 2247309
AU  - Miroshkina, Olga N. - Eggert, Benedikt - Lill, Johanna - Beckmann, Benedikt - Koch, David - Hu, Michael Y. - Lojewski, Tobias - Rauls, Simon - Scheibel, Franziska - Taubel, Andreas - Šob, Mojmír - Ollefs, Katharina - Gutfleisch, Oliver - Wende, Heiko - Gruner, Markus E. - Friak, Martin
PY  - 2022
TI  - Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloys
JF  - Physical Review B
VL  - 106
IS  - 21
SP  - 1-13
EP  - 1-13
PB  - The American Physical Society
SN  - 24699950
KW  - Lattice dynamics
KW  - Magnetic order
KW  - Structural properties
KW  - Heusler alloy
KW  - Density functional theory
KW  - Inelastic X-ray scattering
KW  - Mössbauer spectroscopy
UR  - https://doi.org/10.1103/PhysRevB.106.214302
N2  - We have performed a combined experimental and theoretical investigation of the vibrational properties of Ni2MnSn Heusler alloys. Sn-partial vibrational density of states (VDOS) of Sn119 was measured by nuclear resonant inelastic x-ray scattering at temperatures of 15 and 300 K, while magnetism and local environment of Sn was resolved by Sn119 Mössbauer spectroscopy. Using density functional theory, we associate the peaks in the VDOS with particular features in the element-resolved phonon dispersion of L21 ordered Ni2MnSn. The good agreement between theory and experiment in the low-energy region provides the evidence that the inversion of optical modes at Γ involving the displacement of Ni and the heavier main group element atoms, which was predicted previously for other Ni-Mn-based Heusler compounds, is also a characteristic property of Ni2MnSn. Introducing different types of magnetic and antisite disorder in our calculations results in a distinctive redistribution and broadening of the Sn-VDOS, suggesting that considering partial disorder further improves the agreement with the experiment in particular at the highest phonon energies.
ER  -

MIROSHKINA, Olga N., Benedikt EGGERT, Johanna LILL, Benedikt BECKMANN, David KOCH, Michael Y. HU, Tobias LOJEWSKI, Simon RAULS, Franziska SCHEIBEL, Andreas TAUBEL, Mojmír ŠOB, Katharina OLLEFS, Oliver GUTFLEISCH, Heiko WENDE, Markus E. GRUNER a Martin FRIAK. Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloys. \textit{Physical Review B}. The American Physical Society, 2022, roč.~106, č.~21, s.~1-13. ISSN~2469-9950. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.106.214302.

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