Chemical ordering in NiMn-based Heusler alloys with magnetostructural phase transition is crucial for understanding the physics of the phase transition. In the new field of all-d-metal Ni(Co)MnTi Heusler alloys, the experimental determination of chemical order is challenging due to the low difference in scattering power of the different elements. Here, we report a combined approach of neutron and x-ray diffraction for an analysis of chemical order in Ni(Co)MnTi alloys and show that no Heusler-typical order between Ti and Mn is present. Furthermore, Co and Ni atoms do not exhibit order among them; however, the phase transition of Co containing samples can be shifted significantly by changing the degree of order with proper heat treatment. Using first-principles calculations, we reveal how the structural and magnetic sub-systems depend on the degree of disorder.
REFERENCES
1.
J.
Liu
, T.
Gottschall
, K. P.
Skokov
, J. D.
Moore
, and O.
Gutfleisch
, “Giant magnetocaloric effect driven by structural transitions
,” Nat. Mater.
11
, 620
–626
(2012
). 2.
R.
Kainuma
, Y.
Imano
, W.
Ito
, Y.
Sutou
, H.
Morito
, S.
Okamoto
, O.
Kitakami
, K.
Oikawa
, A.
Fujita
, T.
Kanomata
et al., “Magnetic-field-induced shape recovery by reverse phase transformation
,” Nature
439
, 957
–960
(2006
). 3.
T.
Gottschall
, A.
Gracia-Condal
, M.
Fries
, A.
Taubel
, L.
Pfeuffer
, L.
Manosa
, A.
Planes
, K. P.
Skokov
, and O.
Gutfleisch
, “A multicaloric cooling cycle that exploits thermal hysteresis
,” Nat. Mater.
17
, 929
–934
(2018
). 4.
Z. Y.
Wei
, E. K.
Liu
, J. H.
Chen
, Y.
Li
, G. D.
Liu
, H. Z.
Luo
, X. K.
Xi
, H. W.
Zhang
, W. H.
Wang
, and G. H.
Wu
, “Realization of multifunctional shape-memory ferromagnets in all-d-metal Heusler phases
,” Appl. Phys. Lett.
107
, 022406
(2015
). 5.
Z. Y.
Wei
, E. K.
Liu
, Y.
Li
, X. L.
Han
, Z. W.
Du
, H. Z.
Luo
, G. D.
Liu
, X. K.
Xi
, H. W.
Zhang
, W. H.
Wang
, and G. H.
Wu
, “Magnetostructural martensitic transformations with large volume changes and magneto-strains in all-d-metal Heusler alloys
,” Appl. Phys. Lett.
109
, 071904
(2016
). 6.
H.
Neves Bez
, A. K.
Pathak
, A.
Biswas
, N.
Zarkevich
, V.
Balema
, Y.
Mudryk
, D. D.
Johnson
, and V. K.
Pecharsky
, “Giant enhancement of the magnetocaloric response in Ni–Co–Mn–Ti by rapid solidification
,” Acta Mater.
173
, 225
–230
(2019
). 7.
A.
Taubel
, B.
Beckmann
, L.
Pfeuffer
, N.
Fortunato
, F.
Scheibel
, S.
Ener
, T.
Gottschall
, K. P.
Skokov
, H.
Zhang
, and O.
Gutfleisch
, “Tailoring magnetocaloric effect in all-d-metal Ni-Co-Mn-Ti Heusler alloys: A combined experimental and theoretical study
,” Acta Mater.
201
, 425
–434
(2020
). 8.
Z.
Wei
, Y.
Shen
, Z.
Zhang
, J.
Guo
, B.
Li
, E.
Liu
, Z.
Zhang
, and J.
Liu
, “Low-pressure-induced giant barocaloric effect in an all-d-metal Heusler magnetic shape memory alloy
,” APL Mater.
8
, 051101
(2020
). 9.
T.
Gottschall
, E.
Bykov
, A.
Gracia-Condal
, B.
Beckmann
, A.
Taubel
, L.
Pfeuffer
, O.
Gutfleisch
, L.
Mañosa
, A.
Planes
, Y.
Skourski
, and J.
Wosnitza
, “Advanced characterization of multicaloric materials in pulsed magnetic fields
,” J. Appl. Phys.
127
, 185107
(2020
). 10.
T.
Gottschall
, K. P.
Skokov
, D.
Benke
, M. E.
Gruner
, and O.
Gutfleisch
, “Contradictory role of the magnetic contribution in inverse magnetocaloric Heusler materials
,” Phys. Rev. B
93
, 184431
(2016
). 11.
Z. Y.
Wei
, W.
Sun
, Q.
Shen
, Y.
Shen
, Y. F.
Zhang
, E. K.
Liu
, and J.
Liu
, “Elastocaloric effect of all-d-metal Heusler NiMnTi(Co) magnetic shape memory alloys by digital image correlation and infrared thermography
,” Appl. Phys. Lett.
114
, 101903
(2019
). 12.
D.
Cong
, W.
Xiong
, A.
Planes
, Y.
Ren
, L.
Mañosa
, P.
Cao
, Z.
Nie
, X.
Sun
, Z.
Yang
, X.
Hong
, and Y.
Wang
, “Colossal elastocaloric effect in ferroelastic Ni-Mn-Ti alloys
,” Phys. Rev. Lett.
122
, 255703
(2019
). 13.
H.-L.
Yan
, L.-D.
Wang
, H.-X.
Liu
, X.-M.
Huang
, N.
Jia
, Z.-B.
Li
, B.
Yang
, Y.-D.
Zhang
, C.
Esling
, X.
Zhao
, and L.
Zuo
, “Giant elastocaloric effect and exceptional mechanical properties in an all-d-metal Ni–Mn–Ti alloy: Experimental and ab-initio studies
,” Mater. Des.
184
, 108180
(2019
). 14.
A.
Aznar
, A.
Gràcia-Condal
, A.
Planes
, P.
Lloveras
, M.
Barrio
, J.-L.
Tamarit
, W.
Xiong
, D.
Cong
, C.
Popescu
, and L.
Mañosa
, “Giant barocaloric effect in all--metal Heusler shape memory alloys
,” Phys. Rev. Mater.
3
, 044406
(2019
). 15.
P.
Neibecker
, M. E.
Gruner
, X.
Xu
, R.
Kainuma
, W.
Petry
, R.
Pentcheva
, and M.
Leitner
, “Ordering tendencies and electronic properties in quaternary Heusler derivatives
,” Phys. Rev. B
96
, 165131
(2017
). 16.
R.
Kainuma
, F.
Gejima
, Y.
Sutou
, I.
Ohnuma
, and K.
Ishida
, “Ordering, martensitic and ferromagnetic transformations in Ni-Al-Mn Heusler shape memory alloys
,” Mater. Trans. JIM
41
, 943
–949
(2000
). 17.
Y.
Wang
, D.
Salas
, T. C.
Duong
, B.
Medasani
, A.
Talapatra
, Y.
Ren
, Y. I.
Chumlyakov
, I.
Karaman
, and R.
Arróyave
, “On the fast kinetics of B2–L21 ordering in Ni-Co-Mn-In metamagnetic shape memory alloys
,” J. Alloys Compd.
781
, 479
–489
(2019
). 18.
T.
Graf
, C.
Felser
, and S. S.
Parkin
, “Simple rules for the understanding of Heusler compounds
,” Prog. Solid State Chem.
39
, 1
–50
(2011
). 19.
N.
Bruno
, D.
Salas
, S.
Wang
, I. V.
Roshchin
, R.
Santamarta
, R.
Arroyave
, T.
Duong
, Y.
Chumlyakov
, and I.
Karaman
, “On the microstructural origins of martensitic transformation arrest in a NiCoMnIn magnetic shape memory alloy
,” Acta Mater.
142
, 95
–106
(2018
). 20.
Z.
Guan
, J.
Bai
, J.
Gu
, X.
Liang
, D.
Liu
, X.
Jiang
, R.
Huang
, Y.
Zhang
, C.
Esling
, X.
Zhao
et al., “First-principles investigation of B2 partial disordered structure, martensitic transformation, elastic and magnetic properties of all-d-metal Ni-Mn-Ti Heusler alloys
,” J. Mater. Sci. Technol.
68
, 103
–111
(2021
). 21.
T.
Faske
and W.
Donner
, “X-ray diffractometer for the investigation of temperature- and magnetic field-induced structural phase transitions
,” J. Appl. Crystallogr.
51
, 761
–767
(2018
). 22.
M.
Avdeev
and J. R.
Hester
, “ECHIDNA: A decade of high-resolution neutron powder diffraction at OPAL
,” J. Appl. Crystallogr.
51
, 1597
–1604
(2018
). 23.
J.
Rodríguez-Carvajal
, “Recent advances in magnetic structure determination by neutron powder diffraction
,” Physica B
192
, 55
–69
(1993
). 24.
V.
Petříček
, M.
Dušek
, and L.
Palatinus
, “Crystallographic computing system JANA2006: General features
,” Z. Kristallogr. Cryst. Mater.
229
, 345
–352
(2014
). 25.
L.
Righi
, F.
Albertini
, E.
Villa
, A.
Paoluzi
, G.
Calestani
, V.
Chernenko
, S.
Besseghini
, C.
Ritter
, and F.
Passaretti
, “Crystal structure of 7M modulated Ni–Mn–Ga martensitic phase
,” Acta Mater.
56
, 4529
–4535
(2008
). 26.
K.
Momma
and F.
Izumi
, “VESTA3 for three-dimensional visualization of crystal, volumetric and morphology data
,” J. Appl. Crystallogr.
44
, 1272
–1276
(2011
). 27.
P.
Soven
, “Coherent-potential model of substitutional disordered alloys
,” Phys. Rev.
156
, 809
(1967
). 28.
B.
Gyorffy
, “Coherent-potential approximation for a nonoverlapping-muffin-tin-potential model of random substitutional alloys
,” Phys. Rev. B
5
, 2382
(1972
). 29.
H.
Ebert
et al., “A spin polarized relativistic Korringa-Kohn-Rostoker (SPR-KKR) code for calculating solid state properties,” version 7.7, see https://www.ebert.cup.uni–muenchen.de/kkr/.30.
H.
Ebert
, D.
Koedderitzsch
, and J.
Minar
, “Calculating condensed matter properties using the KKR-Green’s function method–recent developments and applications
,” Rep. Prog. Phys.
74
, 096501
(2011
). 31.
J. P.
Perdew
, K.
Burke
, and M.
Ernzerhof
, “Generalized gradient approximation made simple
,” Phys. Rev. Lett.
77
, 3865
(1996
). 32.
A. I.
Liechtenstein
, M.
Katsnelson
, V.
Antropov
, and V.
Gubanov
, “Local spin density functional approach to the theory of exchange interactions in ferromagnetic metals and alloys
,” J. Magn. Magn. Mater.
67
, 65
–74
(1987
). 33.
L.
Vitos
, H. L.
Skriver
, B.
Johansson
, and J.
Kollár
, “Application of the exact muffin-tin orbitals theory: The spherical cell approximation
,” Comput. Mater. Sci.
18
, 24
–38
(2000
). 34.
L.
Vitos
, I.
Abrikosov
, and B.
Johansson
, “Anisotropic lattice distortions in random alloys from first-principles theory
,” Phys. Rev. Lett.
87
, 156401
(2001
). 35.
L.
Vitos
, Computational Quantum Mechanics for Materials Engineers: The EMTO Method and Applications
(Springer Science & Business Media
, 2007
).36.
L.
Vitos
, “Total-energy method based on the exact muffin-tin orbitals theory
,” Phys. Rev. B
64
, B864
(2001
). 37.
B. L.
Gyorffy
, A. J.
Pindor
, J.
Staunton
, G. M.
Stocks
, and H.
Winter
, “A first-principles theory of ferromagnetic phase transitions in metals
,” J. Phys. F
15
, 1337
–1386
(1985
). 38.
B.
Fultz
, Phase Transitions in Materials
(Cambridge University Press
, 2014
).39.
S.
Wurmehl
and M.
Wójcik
, “Structural order in Heusler compounds,” in Heusler Alloys: Properties, Growth, Applications, edited by C. Felser and A. Hirohata (Springer International Publishing, Cham, 2016), pp. 87–109.40.
M.
Zelený
, A.
Sozinov
, L.
Straka
, T.
Björkman
, and R. M.
Nieminen
, “First-principles study of Co- and Cu-doped along the tetragonal deformation path
,” Phys. Rev. B
89
, 184103
(2014
). 41.
S.
Barman
, A.
Chakrabarti
, S.
Singh
, S.
Banik
, S.
Bhardwaj
, P.
Paulose
, B.
Chalke
, A.
Panda
, A.
Mitra
, and A.
Awasthi
, “Theoretical prediction and experimental study of a ferromagnetic shape memory alloy: Ga2MnNi
,” Phys. Rev. B
78
, 134406
(2008
). 42.
K.
Liu
, S.
Ma
, C.
Ma
, X.
Han
, K.
Yu
, S.
Yang
, Z.
Zhang
, Y.
Song
, X.
Luo
, C.
Chen
, S. U.
Rehman
, and Z.
Zhong
, “Martensitic transformation and giant magneto-functional properties in all-d-metal Ni-Co-Mn-Ti alloy ribbons
,” J. Alloys Compd.
790
, 78
–92
(2019
). 43.
M.
López-Cruz
, J.
Zamora
, C. F.
Sánchez-Valdés
, and J. L.
Sánchez Llamazares
, “On the synthesis, structural transformation and magnetocaloric behavior of melt-spun ribbons
,” AIP Adv.
11
, 015010
(2021
). 44.
I.
Galanakis
, P. H.
Dederichs
, and N.
Papanikolaou
, “Slater-pauling behavior and origin of the half-metallicity of the full-heusler alloys
,” Phys. Rev. B
66
, 174429
(2002
). 45.
A.
Zayak
and P.
Entel
, “Role of shuffles and atomic disorder in Ni–Mn–Ga
,” Mater. Sci. Eng., A
378
, 419
–423
(2004
).46.
A. T.
Zayak
, P.
Entel
, K. M.
Rabe
, W. A.
Adeagbo
, and M.
Acet
, “Anomalous vibrational effects in nonmagnetic and magnetic Heusler alloys
,” Phys. Rev. B
72
, 054113
(2005
). 47.
W. J.
Buehler
, J. V.
Gilfrich
, and R. C.
Wiley
, “Effect of low-temperature phase changes on the mechanical properties of alloys near composition TiNi
,” J. Appl. Phys.
34
, 1475
–1477
(1963
). © 2022 Author(s). Published under an exclusive license by AIP Publishing.
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