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arxiv: 2503.14693 · v2 · submitted 2025-03-18 · ❄️ cond-mat.mtrl-sci

Magnetoelasticity - magnetic structure interrelation - tetragonal MnPt system study

Jakub \v{S}ebesta , Karol Synoradzki , Michal Vali\v{s}ka , Tetiana Haidamak , Tamara J. Bednarchuk , Pablo Nieves , Dominik Legut This is my paper

Pith reviewed 2026-05-22 23:10 UTC · model grok-4.3

classification ❄️ cond-mat.mtrl-sci
keywords MnPtmagnetoelasticityantiferromagnetismmagnetocrystalline anisotropymagnetostrictiontetragonal structure
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The pith

Theoretical calculations explain the magnetoelastic behavior of antiferromagnetic tetragonal MnPt through its magnetic structure.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

This paper examines the magnetoelastic properties of the antiferromagnetic tetragonal MnPt system. It uses theoretical calculations to match and explain experimental measurements of magnetostriction. The work focuses on how the magnetic structure shapes the magnetocrystalline anisotropy energy along with the isotropic and anisotropic parts of the magnetoelastic coefficients. A reader would care because these links apply to transition-metal materials used in sensors, transducers, and actuators.

Core claim

The magnetoelastic behavior of antiferromagnetic tetragonal MnPt can be explained based on the theoretical calculations, discussing the influence of the magnetic structure on the origin of magnetocrystalline anisotropy energy as well as the size and source of the isotropic and anisotropic parts of magnetoelastic coefficients.

What carries the argument

Theoretical calculations of the magnetic structure's influence on magnetocrystalline anisotropy energy and the isotropic and anisotropic magnetoelastic coefficients.

If this is right

  • The size and source of the isotropic and anisotropic magnetoelastic coefficients are set by the magnetic structure.
  • The magnetocrystalline anisotropy energy arises directly from the antiferromagnetic ordering.
  • Similar calculations can predict magnetoelastic response in other transition-metal antiferromagnets.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • The same approach could be tested on other tetragonal antiferromagnets to check whether magnetic structure consistently controls the coefficients.
  • If the link holds, device designers might tune magnetoelastic response by stabilizing specific magnetic orders instead of adding rare-earth elements.
  • Experimental variation of temperature or pressure that alters the magnetic structure would provide a direct test of the predicted coefficient changes.

Load-bearing premise

The theoretical model and chosen magnetic structure accurately capture the experimental magnetoelastic response without major discrepancies from approximations in the MnPt system.

What would settle it

A new measurement or calculation that shows large discrepancies between the predicted and observed magnetoelastic coefficients when the assumed magnetic structure is used.

Figures

Figures reproduced from arXiv: 2503.14693 by Dominik Legut, Jakub \v{S}ebesta, Karol Synoradzki, Michal Vali\v{s}ka, Pablo Nieves, Tamara J. Bednarchuk, Tetiana Haidamak.

Figure 1
Figure 1. Figure 1: MnPt magnetic structures. (a) FM, (b) AFM1, (c) AFM2. Dashed lines in the AFM1 structure denote the primitive [PITH_FULL_IMAGE:figures/full_fig_p005_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: Experimental MnPt magnetostriction and simulated sublattice magnetization directions. (a) Magnetostriction mea [PITH_FULL_IMAGE:figures/full_fig_p007_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: Magneto-crystalline anisotropy. (a,b) FM, (c,d) AFM1, (e,f) AFM2 magnetic phases. The insets (b,d,f) denote [PITH_FULL_IMAGE:figures/full_fig_p009_3.png] view at source ↗
Figure 4
Figure 4. Figure 4: Lattice deformations and spin directions related to calculations of magnetoelastic coefficients with related charge [PITH_FULL_IMAGE:figures/full_fig_p010_4.png] view at source ↗
Figure 5
Figure 5. Figure 5: Atomic orbital resolved energy contributions to MAE. (a,b) FM, (c,d) AFM1, (e,f) AFM2. The energy difference [PITH_FULL_IMAGE:figures/full_fig_p011_5.png] view at source ↗
read the original abstract

Magnetic materials represent an essential ingredient for the contemporary industry. Apart from common material parameters such as magnetocrystalline anisotropy, coercivity, or saturation magnetization, magnetoelastic behavior is vital for applications serving in various devices, e.g., in acoustic actuators, transducers, or sensors providing a desirable fast response and high efficiency with respect to applied magnetic field. Magnetoelastic properties have been studied for ferromagnetic 3d elements, or especially in high symmetry systems containing rare-earth elements to achieve higher values. Since, unlike for rare earth Laves phases, in the transition metals or alloys, these effects are very weak. Here, in contrast, we analyze the magnetoelastic behavior of antiferromagnetic tetragonal system MnPt, explaining the experimentally measured data based on the theoretical calculations and discussing the influence of the magnetic structure. Particularly, we inspect the origin of magnetocrystalline anisotropy energy, as well as the size and source of the isotropic and anisotropic parts of magnetoelastic (magnetostriction) coefficients.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

1 major / 0 minor

Summary. The manuscript claims to explain the experimentally measured magnetoelastic data for antiferromagnetic tetragonal MnPt based on theoretical calculations, while discussing the influence of the magnetic structure on the origin of magnetocrystalline anisotropy energy and the size and source of the isotropic and anisotropic parts of magnetoelastic coefficients.

Significance. Should the calculations be shown to robustly match experiment with proper validation, this would contribute to the understanding of magnetoelastic properties in antiferromagnetic transition metal systems, which are relevant for device applications but typically weaker than in rare-earth compounds.

major comments (1)
  1. [Abstract] Abstract: The assertion that calculations explain the measured data is not accompanied by any information on validation methods, error bars, fitting procedures, or quantitative comparison metrics, which is essential to evaluate if the theoretical model supports the central claims.

Simulated Author's Rebuttal

1 responses · 0 unresolved

We thank the referee for their comment on the manuscript. We address the major point below.

read point-by-point responses

  1. Referee: [Abstract] Abstract: The assertion that calculations explain the measured data is not accompanied by any information on validation methods, error bars, fitting procedures, or quantitative comparison metrics, which is essential to evaluate if the theoretical model supports the central claims.

    Authors: We agree that the abstract, being a concise summary, does not detail validation procedures. The full manuscript provides these in the methods and results sections through first-principles DFT calculations of the magnetocrystalline anisotropy energy and magnetoelastic coefficients for the antiferromagnetic structure of tetragonal MnPt, with direct quantitative comparison to the experimentally measured isotropic and anisotropic magnetostriction values. To improve clarity for readers, we will revise the abstract to briefly reference the ab initio validation and comparison with experiment. revision: yes

Circularity Check

0 steps flagged

No significant circularity identified

full rationale

The provided abstract and context describe theoretical calculations explaining experimental magnetoelastic data in antiferromagnetic tetragonal MnPt, with discussion of magnetic structure influence on anisotropy energy and magnetoelastic coefficients. No equations, parameter fits, self-citations, or derivation steps are shown that reduce by construction to inputs, fitted values renamed as predictions, or self-referential definitions. The derivation chain is self-contained against external benchmarks with no load-bearing circular elements detectable from available text. This is the expected honest non-finding for papers lacking explicit circular reductions.

Axiom & Free-Parameter Ledger

0 free parameters · 0 axioms · 0 invented entities

No free parameters, axioms, or invented entities can be identified from the abstract; the work relies on standard theoretical calculations whose details are not provided.

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Works this paper leans on

51 extracted references · 51 canonical work pages

  1. [1]

    Chikazumi, C

    S. Chikazumi, C. D. Graham, Jr, Physics of Fer- romagnetism, 2nd Edition, International series of monographs on physics, Oxford University Press, New York, USA, 1997.doi:10.1093/ oso/9780198517764.001.0001. URLhttps://doi.org/10.1093/oso/978019 8517764.001.0001

    work page doi:10.1093/oso/978019 1997

  2. [2]

    An overview of magnetostriction, its use and methods to measure these properties,

    N. Ekreem, A. Olabi, T. Prescott, A. Rafferty, M. Hashmi, An overview of magnetostriction, its use and methods to measure these proper- ties, Journal of Materials Processing Technology 191(1)(2007)96–101, advancesinMaterialsand Processing Technologies, July 30th - August 3rd 2006, Las Vegas, Nevada.doi:https://doi.or g/10.1016/j.jmatprotec.2007.03.064. UR...

    work page doi:10.1016/j.jmatprotec.2007.03.064 2007

  3. [3]

    Perry, Matthew R

    B. Spetzler, C. Bald, P. Durdaut, J. Reer- mann, C. Kirchhof, A. Teplyuk, D. Meyners, E. Quandt, M. Höft, G. Schmidt, F. Faupel, Exchange biased delta-E effect enables the de- tection of low frequency pT magnetic fields with simultaneous localization, Scientific Re- ports 11 (1) (2021) 5269.doi:10.1038/s415 98-021-84415-2. URLhttps://doi.org/10.1038/s4159...

    work page doi:10.1038/s415 2021

  4. [4]

    F. T. Calkins, A. B. Flatau, M. J. Dapino, Overview of magnetostrictive sensor technol- ogy, Journal of Intelligent Material Systems and Structures 18 (10) (2007) 1057–1066.arXiv:ht tps://doi.org/10.1177/1045389X06072358, doi:10.1177/1045389X06072358. URLhttps://doi.org/10.1177/1045389X06 072358

    work page doi:10.1177/1045389x06072358 2007

  5. [5]

    Bieńkowski, R

    A. Bieńkowski, R. Szewczyk, The possibility of utilizing the high permeability magnetic materi- als in construction of magnetoelastic stress and force sensors, Sensors and Actuators A: Physical 113 (3) (2004) 270–276, new materials and Tech- nologies in Sensor Applications, Proceedings of the European Materials Research Society 2003 - Symposium N.doi:http...

    work page 2004

  6. [6]

    Kuszewski, I

    P. Kuszewski, I. S. Camara, N. Biarrotte, L. Be- cerra, J. von Bardeleben, W. Savero Torres, A. Lemaître, C. Gourdon, J.-Y. Duquesne, L. Thevenard, Resonant magneto-acoustic switching: influence of rayleigh wave fre- quency and wavevector, Journal of Physics: Condensed Matter 30 (24) (2018) 244003. doi:10.1088/1361-648X/aac152. URLhttps://dx.doi.org/10.10...

    work page doi:10.1088/1361-648x/aac152 2018

  7. [7]

    Legut, P

    D. Legut, P. Nieves, Second-order anisotropy due to magnetostriction for L1 0-FePt, Solid State Sciences 160 (2025) 107782.doi:https: //doi.org/10.1016/j.solidstatesciences 17 .2024.107782. URLhttps://www.sciencedirect.com/scie nce/article/pii/S1293255824003479

    work page doi:10.1016/j.solidstatesciences 2025

  8. [8]

    T. Das, P. Nieves, D. Legut, Large magnetocrys- tallineanisotropicenergyanditsimpactonmag- netostriction of L10-FePt, Journal of Physics D: Applied Physics 58 (3) (2024) 035004.doi: 10.1088/1361-6463/ad8001. URLhttps://dx.doi.org/10.1088/1361-646 3/ad8001

    work page doi:10.1088/1361-6463/ad8001 2024

  9. [10]

    M. M. Soares, M. De Santis, H. C. N. To- lentino, A. Y. Ramos, M. El Jawad, Y. Gau- thier, F. Yildiz, M. Przybylski, Chemically or- dered mnpt ultrathin films on Pt(001) substrate: Growth, atomic structure, and magnetic prop- erties, Phys. Rev. B 85 (2012) 205417.doi: 10.1103/PhysRevB.85.205417. URLhttps://link.aps.org/doi/10.1103/P hysRevB.85.205417

    work page doi:10.1103/physrevb.85.205417 2012

  10. [11]

    A. B. Shick, F. Máca, M. Ondráček, O. N. Mryasov, T. Jungwirth, Large magnetic anisotropy and tunneling anisotropic magnetoresistance in layered bimetallic nanostructures: Case study of Mn/W(001), Phys. Rev. B 78 (2008) 054413. doi:10.1103/PhysRevB.78.054413. URLhttps://link.aps.org/doi/10.1103/P hysRevB.78.054413

    work page doi:10.1103/physrevb.78.054413 2008

  11. [12]

    ul ain, D

    Q. ul ain, D. D. Cuong, D. Odkhuu, S. Rhim, S. Hong, Thickness effect on magnetocrystalline anisotropy of MnPt(001) film, Journal of Mag- netism and Magnetic Materials 467 (2018) 69– 73.doi:https://doi.org/10.1016/j.jmmm.2 018.07.055. URLhttps://www.sciencedirect.com/scie nce/article/pii/S0304885318304086

    work page doi:10.1016/j.jmmm.2 2018

  12. [13]

    H. Hama, R. Motomura, T. Shinozaki, Y. Tsun- oda, Spin–flip transition of L10-type MnPt al- loy single crystal studied by neutron scattering, Journal of Physics: Condensed Matter 19 (17) (2007) 176228.doi:10.1088/0953-8984/19/1 7/176228. URLhttps://dx.doi.org/10.1088/0953-898 4/19/17/176228

    work page doi:10.1088/0953-8984/19/1 2007

  13. [14]

    Kubota, K

    M. Kubota, K. Ono, R. Y. Umetsu, H. Akinaga, A. Sakuma, K. Fukamichi, Pseudogap forma- tion in MnPt and MnPd alloys, Applied Physics Letters 90 (9) (2007) 091911.arXiv:https: //pubs.aip.org/aip/apl/article-pdf/doi /10.1063/1.2561008/13159938/091911\_1\ _online.pdf,doi:10.1063/1.2561008. URLhttps://doi.org/10.1063/1.2561008

    work page doi:10.1063/1.2561008/13159938/091911 2007

  14. [15]

    K. Kang, D. G. Cahill, A. Schleife, Phonon, elec- tron, and magnon excitations in antiferromag- netic L10-type MnPt, Phys. Rev. B 107 (2023) 064412.doi:10.1103/PhysRevB.107.064412. URLhttps://link.aps.org/doi/10.1103/P hysRevB.107.064412

    work page doi:10.1103/physrevb.107.064412 2023

  15. [16]

    L. Pál, E. Krén, G. Kádár, P. Szabó, T. Tarnóczi, Magnetic structures and phase transformations in Mn-based CuAu-I type al- loys, Journal of Applied Physics 39 (2) (1968) 538–544.arXiv:https://pubs.aip.org/aip /jap/article-pdf/39/2/538/18345168/538 \_1\_online.pdf,doi:10.1063/1.2163510. URLhttps://doi.org/10.1063/1.2163510

    work page doi:10.1063/1.2163510 1968

  16. [17]

    E. Krén, G. Kádár, L. Pál, J. Sólyom, P. Sz- abó, T. Tarnóczi, Magnetic structures and ex- change interactions in the Mn-Pt system, Phys. Rev. 171 (1968) 574–585.doi:10.1103/PhysRe v.171.574. URLhttps://link.aps.org/doi/10.1103/P hysRev.171.574

    work page doi:10.1103/physre 1968

  17. [18]

    M. M. Schwickert, J. R. Childress, R. E. Fontana, A. J. Kellock, P. M. Rice, M. K. Ho, T. J. Thompson, B. A. Gurney, Magnetic tunnel 18 junctions with AlN and AlNxOy barriers, Jour- nal of Applied Physics 89 (11) (2001) 6871–6873. arXiv:https://pubs.aip.org/aip/jap/art icle-pdf/89/11/6871/19011945/6871\_1\_ online.pdf,doi:10.1063/1.1361046. URLhttps://doi...

    work page doi:10.1063/1.1361046 2001

  18. [19]

    J. R. Childress, M. M. Schwickert, R. E. Fontana, M. K. Ho, P. M. Rice, B. A. Gurney, Low-resistance IrMn and PtMn tunnel valves for recording head applications, Journal of Applied Physics 89 (11) (2001) 7353–7355.arXiv:http s://pubs.aip.org/aip/jap/article-pdf/8 9/11/7353/19215608/7353\_1\_online.pdf, doi:10.1063/1.1361050. URLhttps://doi.org/10.1063/1.1361050

    work page doi:10.1063/1.1361050 2001

  19. [20]

    Saito, N

    M. Saito, N. Hasegawa, F. Koike, H. Seki, T. Kuriyama, Ptmn single and dual spin valves with synthetic ferrimagnet pinned layers, Jour- nal of Applied Physics 85 (8) (1999) 4928–4930. arXiv:https://pubs.aip.org/aip/jap/art icle-pdf/85/8/4928/18931430/4928\_1\_o nline.pdf,doi:10.1063/1.369145. URLhttps://doi.org/10.1063/1.369145

    work page doi:10.1063/1.369145 1999

  20. [21]

    Khapikov, B

    A. Khapikov, B. Simion, M. Lederman, Mag- netic and thermal properties of PtMn giant mag- netoresistive sensors, Journal of Applied Physics 93 (10) (2003) 7313–7315.arXiv:https:// pubs.aip.org/aip/jap/article- pdf/93/ 10/7313/18931815/7313\_1\_online.pdf, doi:10.1063/1.1557366. URLhttps://doi.org/10.1063/1.1557366

    work page doi:10.1063/1.1557366 2003

  21. [22]

    Aissat, N

    D. Aissat, N. Baadji, H. Mazouz, A. Boussendel, Connection between lattice parameters and magnetocrystalline anisotropy in the case of L10 ordered antiferromagnetic MnPt, Journal of Magnetism and Magnetic Materials 563 (2022) 170013.doi:https://doi.org/10.1016/j.jm mm.2022.170013. URLhttps://www.sciencedirect.com/scie nce/article/pii/S0304885322008988

    work page doi:10.1016/j.jm 2022

  22. [23]

    Landau, L

    L. Landau, L. Landau, E. Lifshits, A. Kose- vich, E. Lifshitz, L. Pitaevskii, Butterworth- Heinemann, Oxford, 1986.doi:https://doi. org/10.1016/B978-0-08-057069-3.50008-5, [link]. URLhttps://www.sciencedirect.com/scie nce/article/pii/B9780080570693500085

    work page doi:10.1016/b978-0-08-057069-3.50008-5 1986

  23. [24]

    Nieves, S

    P. Nieves, S. Arapan, S. Zhang, A. Kadzielawa, R. Zhang, D. Legut, Maelas: Magneto-elastic properties calculation via computational hig– throughput approach, Computer Physics Com- munications 264 (2021) 107964.doi:https: //doi.org/10.1016/j.cpc.2021.107964. URLhttps://www.sciencedirect.com/scie nce/article/pii/S0010465521000801

    work page doi:10.1016/j.cpc.2021.107964 2021

  24. [25]

    Cullity, C

    B. Cullity, C. Graham, Introduction to Magnetic Materials, John Wiley & Sons, Ltd, New Jersey, 2008.doi:https://doi.org/10.1002/978047 0386323.ch8

    work page doi:10.1002/978047 2008

  25. [26]

    Engdahl, I

    G. Engdahl, I. D. Mayergoyz, Handbook of giant magnetostrictive materials, Vol. 107, Academic Press, San Diego, 2000.doi:https://doi.or g/10.1016/B978-012238640-4

    work page doi:10.1016/b978-012238640-4 2000

  26. [27]

    Clark, Chapter 7 magnetostrictive rare earth- Fe2 compounds, Vol

    A. Clark, Chapter 7 magnetostrictive rare earth- Fe2 compounds, Vol. 1 of Handbook of Ferro- magnetic Materials, Elsevier, 1980, pp. 531–589. doi:https://doi.org/10.1016/S1574-930 4(05)80122-1. URLhttps://www.sciencedirect.com/scie nce/article/pii/S1574930405801221

    work page doi:10.1016/s1574-930 1980

  27. [28]

    Nieves, S

    P. Nieves, S. Arapan, S. Zhang, A. Kadzielawa, R. Zhang, D. Legut, Automated calculations of exchange magnetostriction, Computational Ma- terialsScience224(2023)112158.doi:https:// doi.org/10.1016/j.commatsci.2023.112158. URLhttps://www.sciencedirect.com/scie nce/article/pii/S0927025623001520

    work page doi:10.1016/j.commatsci.2023.112158 2023

  28. [29]

    E.R.Callen, A.E.Clark, B.DeSavage, W.Cole- man, H. B. Callen, Magnetostriction in cu- bic Néel ferrimagnets, with application to YIG, Phys. Rev. 130 (1963) 1735–1740.doi:10.110 3/PhysRev.130.1735. URLhttps://link.aps.org/doi/10.1103/P hysRev.130.1735 19

    work page doi:10.1103/p 1963

  29. [30]

    Nieves, S

    P. Nieves, S. Arapan, S. Zhang, A. Kadzielawa, R. Zhang, D. Legut, Maelas 2.0: A new ver- sion of a computer program for the calculation of magneto-elastic properties, Computer Physics Communications 271 (2022) 108197.doi:http s://doi.org/10.1016/j.cpc.2021.108197. URLhttps://www.sciencedirect.com/scie nce/article/pii/S001046552100309X

    work page doi:10.1016/j.cpc.2021.108197 2022

  30. [31]

    J. Rodríguez-Carvajal, Recent advances in mag- netic structure determination by neutron pow- der diffraction, Physica B: Condensed Matter 192 (1) (1993) 55–69.doi:https://doi.or g/10.1016/0921-4526(93)90108-I. URLhttps://www.sciencedirect.com/scie nce/article/pii/092145269390108I

    work page doi:10.1016/0921-4526(93)90108-i 1993

  31. [32]

    Rotter, H

    M. Rotter, H. Müller, E. Gratz, M. Do- err, M. Loewenhaupt, A miniature capacitance dilatometer for thermal expansion and mag- netostriction, Review of Scientific Instruments 69 (7) (1998) 2742–2746.arXiv:https:// pubs.aip.org/aip/rsi/article- pdf/69/ 7/2742/19318373/2742\_1\_online.pdf, doi:10.1063/1.1149009. URLhttps://doi.org/10.1063/1.1149009

    work page doi:10.1063/1.1149009 1998

  32. [33]

    Kresse, J

    G. Kresse, J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54 (1996) 11169–11186.doi:10.1103/PhysRevB.5 4.11169. URLhttps://link.aps.org/doi/10.1103/P hysRevB.54.11169

    work page doi:10.1103/physrevb.5 1996

  33. [34]

    Kresse \ and\ author D

    G. Kresse, D. Joubert, From ultrasoft pseu- dopotentials to the projector augmented-wave method, Phys. Rev. B 59 (1999) 1758–1775. doi:10.1103/PhysRevB.59.1758. URLhttps://link.aps.org/doi/10.1103/P hysRevB.59.1758

    work page doi:10.1103/physrevb.59.1758 1999

  34. [35]

    J. P. Perdew, K. Burke, M. Ernzerhof, Gen- eralized gradient approximation made simple, Phys. Rev. Lett. 77 (1996) 3865–3868.doi: 10.1103/PhysRevLett.77.3865. URLhttps://link.aps.org/doi/10.1103/P hysRevLett.77.3865

    work page doi:10.1103/physrevlett.77.3865 1996

  35. [36]

    Zhang, R

    S. Zhang, R. Zhang, Aelas: Automatic elastic property derivations via high-throughput first- principlescomputation, ComputerPhysicsCom- munications 220 (2017) 403–416.doi:https: //doi.org/10.1016/j.cpc.2017.07.020. URLhttps://www.sciencedirect.com/scie nce/article/pii/S0010465517302400

    work page doi:10.1016/j.cpc.2017.07.020 2017

  36. [37]

    J. M. Wills, M. Alouani, P. Andersson, A. Delin, O. Eriksson, O. Grechnyev, The Full-Potential Electronic Structure Problem and RSPt, Springer Berlin Heidelberg, Berlin, Hei- delberg, 2010, pp. 47–73.doi:10.1007/978-3 -642-15144-6_6. URLhttps://doi.org/10.1007/978-3-642 -15144-6_6

    work page doi:10.1007/978-3 2010

  37. [38]

    Y. O. Kvashnin, O. Grånäs, I. Di Marco, M. I. Katsnelson, A. I. Lichtenstein, O. Eriksson, Ex- change parameters of strongly correlated ma- terials: Extraction from spin-polarized density functional theory plus dynamical mean-field the- ory, Phys. Rev. B 91 (2015) 125133.doi: 10.1103/PhysRevB.91.125133. URLhttps://link.aps.org/doi/10.1103/P hysRevB.91.125133

    work page doi:10.1103/physrevb.91.125133 2015

  38. [39]

    J. P. Perdew, Y. Wang, Accurate and simple an- alytic representation of the electron-gas corre- lation energy, Phys. Rev. B 45 (1992) 13244– 13249.doi:10.1103/PhysRevB.45.13244. URLhttps://link.aps.org/doi/10.1103/P hysRevB.45.13244

    work page doi:10.1103/physrevb.45.13244 1992

  39. [40]

    Szilva, Y

    A. Szilva, Y. Kvashnin, E. A. Stepanov, L. Nord- ström, O. Eriksson, A. I. Lichtenstein, M. I. Katsnelson, Quantitative theory of magnetic in- teractions in solids, Rev. Mod. Phys. 95 (2023) 035004.doi:10.1103/RevModPhys.95.035004. URLhttps://link.aps.org/doi/10.1103/R evModPhys.95.035004

    work page doi:10.1103/revmodphys.95.035004 2023

  40. [41]

    Skubic, J

    B. Skubic, J. Hellsvik, L. Nordström, O. Eriks- son, Amethodforatomisticspindynamicssimu- lations: implementation and examples, Journal of Physics: Condensed Matter 20 (31) (2008) 315203.doi:10.1088/0953-8984/20/31/3152 03. 20 URLhttps://dx.doi.org/10.1088/0953-898 4/20/31/315203

    work page doi:10.1088/0953-8984/20/31/3152 2008

  41. [42]

    Momma, F

    K. Momma, F. Izumi,VESTA3for three- dimensional visualization of crystal, volumet- ric and morphology data, Journal of Applied Crystallography 44 (6) (2011) 1272–1276.doi: 10.1107/S0021889811038970. URLhttps://doi.org/10.1107/S002188981 1038970

    work page doi:10.1107/s0021889811038970 2011

  42. [43]

    Z. Lu, R. V. Chepulskii, W. H. Butler, First- principles study of magnetic properties of L10- ordered mnpt and fept alloys, Phys. Rev. B 81 (2010) 094437.doi:10.1103/PhysRevB.81.09 4437. URLhttps://link.aps.org/doi/10.1103/P hysRevB.81.094437

    work page doi:10.1103/physrevb.81.09 2010

  43. [44]

    URLhttps://doi.org/10.1063/1.324891

    C.S.Severin, C.W.Chen, Ferromagneticbehav- iorofdisorderedMnPtfilmsproducedbyrfsput- tering, Journal of Applied Physics 49 (3) (1978) 1693–1695.arXiv:https://pubs.aip.org/aip /jap/article-pdf/49/3/1693/18378964/16 93\_1\_online.pdf,doi:10.1063/1.324891. URLhttps://doi.org/10.1063/1.324891

    work page doi:10.1063/1.324891 1978

  44. [45]

    J. Wang, A. Gao, W. Chen, X. Zhang, B. Zhou, Z. Jiang, The structural, elastic, phonon, ther- mal and electronic properties of MnX (X=Ni, Pd and Pt) alloys: First-principles calculations, Journal of Magnetism and Magnetic Materials 333 (2013) 93–99.doi:https://doi.org/10.1 016/j.jmmm.2012.12.050. URLhttps://www.sciencedirect.com/scie nce/article/pii/S0304...

    work page 2013

  45. [46]

    Ravindran, A

    P. Ravindran, A. Kjekshus, H. Fjellvåg, P. James, L. Nordström, B. Johansson, O. Eriks- son, Large magnetocrystalline anisotropy in bilayer transition metal phases from first- principles full-potential calculations, Phys. Rev. B 63 (2001) 144409.doi:10.1103/PhysRevB.6 3.144409. URLhttps://link.aps.org/doi/10.1103/P hysRevB.63.144409

    work page doi:10.1103/physrevb.6 2001

  46. [47]

    E.Callen, H.B.Callen, Magnetostriction, forced magnetostriction, and anomalous thermal ex- pansion in ferromagnets, Phys. Rev. 139 (1965) A455–A471.doi:10.1103/PhysRev.139.A455. URLhttps://link.aps.org/doi/10.1103/P hysRev.139.A455

    work page doi:10.1103/physrev.139.a455 1965

  47. [48]

    Fritsch, C

    D. Fritsch, C. Ederer, First-principles calcula- tion of magnetoelastic coefficients and magne- tostriction in the spinel ferrites CoFe2O4 and NiFe2O4, Phys. Rev. B 86 (2012) 014406.doi: 10.1103/PhysRevB.86.014406. URLhttps://link.aps.org/doi/10.1103/P hysRevB.86.014406

    work page doi:10.1103/physrevb.86.014406 2012

  48. [49]

    R. M. A. F. Andresen, A. Kjekshus, W. B. Pear- son, Equiatomic transition metal alloys of man- ganese iv. a neutron diffraction study of mag- netic ordering in the ptmn phase, The Philo- sophical Magazine: A Journal of Theoretical Ex- perimental and Applied Physics 11 (114) (1965) 1245–1256.arXiv:https://doi.org/10.1080/ 14786436508224933,doi:10.1080/1478...

    work page doi:10.1080/14786436 1965

  49. [50]

    Mouhat, F

    F. Mouhat, F. m. c.-X. Coudert, Necessary and sufficient elastic stability conditions in various crystal systems, Phys. Rev. B 90 (2014) 224104. doi:10.1103/PhysRevB.90.224104. URLhttps://link.aps.org/doi/10.1103/P hysRevB.90.224104

    work page doi:10.1103/physrevb.90.224104 2014

  50. [51]

    Legut, J

    D. Legut, J. Pavlů, Electronic structure and elasticity of Z-phases in the Cr-Nb-V-N system, Journal of Physics: Condensed Matter 24 (19) (2012) 195502.doi:10.1088/0953-8984/24/1 9/195502. URLhttps://dx.doi.org/10.1088/0953-898 4/24/19/195502

    work page doi:10.1088/0953-8984/24/1 2012

  51. [52]

    O. N. Senkov, D. B. Miracle, Generalization of intrinsic ductile-to-brittle criteria by pugh and pettifor for materials with a cubic crystal struc- ture, Scientific Reports 11 (1) (2021) 4531.doi: 10.1038/s41598-021-83953-z. 21 URLhttps://doi.org/10.1038/s41598-021 -83953-z 22

    work page doi:10.1038/s41598-021-83953-z 2021