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FRIÁK, M. ZELENÝ, M. MAZALOVÁ, M. MIHÁLIKOVÁ, I. TUREK, I. KAŠTIL, J. KAMARÁD, J. MÍŠEK, M. ARNOLD, Z. SCHNEEWEISS, O. ŠOB, M.
Original Title
The impact of disorder on the 4O-martensite of Ni-Mn-Sn Heusler alloy
Type
journal article in Web of Science
Language
English
Original Abstract
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.
Keywords
Ni-Mn-Sn; martensite; modulation; magnetism; ab initio; phonons; elasticity PACS; 63.50.+x; 75.50.Gg; 64.30.Ef; 62.20.Dc
Authors
FRIÁK, M.; ZELENÝ, M.; MAZALOVÁ, M.; MIHÁLIKOVÁ, I.; TUREK, I.; KAŠTIL, J.; KAMARÁD, J.; MÍŠEK, M.; ARNOLD, Z.; SCHNEEWEISS, O.; ŠOB, M.
Released
13. 9. 2022
Publisher
ELSEVIER SCI LTD
Location
OXFORD
ISBN
1879-0216
Periodical
INTERMETALLICS
Year of study
151
Number
-
State
United Kingdom of Great Britain and Northern Ireland
Pages from
107708
Pages to
Pages count
11
URL
https://www.sciencedirect.com/science/article/pii/S0966979522002497