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Probing Glassiness in Heuslers via Density Functional Theory Calculations

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Frustrated Materials and Ferroic Glasses

Part of the book series: Springer Series in Materials Science ((SSMATERIALS,volume 275))

Abstract

Heusler compounds and alloys form a unique class of intermetallic systems with functional properties interfering with basic questions of fundamental aspects of materials science. Among the functional properties, the magnetic shape memory behavior (Planes et al., J Phys: Condens Matter 21:233201 (29 pp), 2009) and the ferrocaloric effects like the inverse magnetocaloric effect which is associated with the first order magnetostructural transformation with a jump-like change of the magnetization with lowering of temperature (Acet et al., Magnetic-field-induced effects in martensitic Heusler-based magnetic shape memory alloys. In: Bushow KHJ (ed) Handbook of magnetic materials, vol 19. North-Holland, Amsterdam, pp 231–289, 2011) have been intensively investigated in various reviews. Important references can be found in Acet et al. (Magnetic-field-induced effects in martensitc Heusler-based magnetic shape memory alloys. In: Bushow KHJ (ed) Handbook of magnetic materials, vol 19. North-Holland, Amsterdam, pp 231–289, 2011). Besides magnetocaloric effects, other ferroic cooling mechanisms of Heuslers (electrocaloric, barocaloric, and elastocaloric ones) have recently been discussed by Xavier Moya et al. (Nat Mater 13:439–450, 2014). A discussion of caloric effects in ferroic materials including a brief discussion of the importance of correlating time and length scales can be found in Fähler et al. (Adv Eng Mater 14:10–19, 2012). In the present article, we emphasize this item further by showing that, in particular, the physics at different time scales leads to markedly different properties of the Heusler materials. “Rapidly quenched” alloys behave differently from “less rapidly quenched” alloys. In the latter case, the so-called magnetostructural transformation may vanish altogether because of segregation of the alloys into the stoichiometric L21 Heusler phase and L10 Ni-Mn occurs. We argue that this tendency for segregation is at the origin of glassiness in Heuslers.

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Acknowledgements

This work was supported by the DFG priority programme SPP 1599.

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Authors and Affiliations

  1. Faculty of Physics and CENIDE, University of Duisburg-Essen, Duisburg, Germany

    P. Entel, M. E. Gruner, M. Acet, A. Hucht, V. D. Buchelnikov, V. V. Sokolovskiy, T. Lookman & X. Ren

  2. Muğla Üniversitesi, Metalurji ve Malzeme Mühendisliği Bölümü, Muğla, Turkey

    A. Çakır & X. Ren

  3. Department of Materials Science & Engineering, A&M University, College Station, TX, USA

    R. Arróyave, I. Karaman, T. C. Duong, A. Talapatra, N. M. Bruno, D. Salas & X. Ren

  4. Department Chemie, Ludwig-Maximilian-University Munich, Munich, Germany

    S. Mankovsky

  5. Max-Planck-Institut für Mikrostrukturphysik, Halle, Germany

    L. Sandratskii

  6. Technical University Darmstadt, Institute of Materials Science, Darmstadt, Germany

    T. Gottschall & O. Gutfleisch

  7. Institute of Materials Science, University of Connecticut, Storrs, CT, USA

    S. Sahoo

  8. IFW Dresden, Dresden, Germany

    S. Fähler

  9. BCMaterials and Department of Electricity and Electronics, University of Basque Country (UPV/EHU), Bilbao, Spain

    P. Lázpita, V. A. Chernenko & J. M. Barandiaran

  10. Condensed Matter Physics Department, Chelyabinsk State University, Chelyabinsk, Russia

    V. D. Buchelnikov & V. V. Sokolovskiy

  11. Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, USA

    T. Lookman

  12. Frontier Institute of Science and Technology and State Key Laboratory for Mechanical Behaviour of Materials, Xi’an Jiaotong University, Xi’an, China

    X. Ren

  13. Center for Functional Materials, National Institute for Materials Science, Tsukuba, Ibaraki, Japan

    X. Ren

Authors
  1. P. Entel
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  2. M. E. Gruner
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  3. M. Acet
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  4. A. Hucht
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  5. A. Çakır
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  6. R. Arróyave
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  7. I. Karaman
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  8. T. C. Duong
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  9. A. Talapatra
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  10. N. M. Bruno
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  11. D. Salas
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  12. S. Mankovsky
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  13. L. Sandratskii
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  14. T. Gottschall
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  15. O. Gutfleisch
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  16. S. Sahoo
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  17. S. Fähler
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  18. P. Lázpita
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  19. V. A. Chernenko
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  20. J. M. Barandiaran
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  21. V. D. Buchelnikov
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  22. V. V. Sokolovskiy
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  23. T. Lookman
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  24. X. Ren
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Corresponding author

Correspondence to M. E. Gruner .

Editor information

Editors and Affiliations

  1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, USA

    Turab Lookman

  2. Frontier Institute of Science and Technology and State Key Laboratory for Mechanical Behaviour of Materials, Xi’an Jiaotong University, Xi’an, China

    Xiaobing Ren

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Entel, P. et al. (2018). Probing Glassiness in Heuslers via Density Functional Theory Calculations. In: Lookman, T., Ren, X. (eds) Frustrated Materials and Ferroic Glasses. Springer Series in Materials Science, vol 275. Springer, Cham. https://doi.org/10.1007/978-3-319-96914-5_6

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