Crossref journal-article
AIP Publishing
Applied Physics Letters (317)
Abstract

The critical temperature and saturation magnetization for four- and five-component FCC transition metal alloys are predicted using a formalism that combines density functional theory and a magnetic mean-field model. Our theoretical results are in excellent agreement with experimental data presented in both this work and in the literature. The generality and power of this approach allow us to computationally design alloys with well-defined magnetic properties. Among other alloys, the method is applied to CoCrFeNiPd alloys, which have attracted attention recently for potential magnetic applications. The computational framework is able to predict the experimentally measured TC and to explore the dominant mechanisms for alloying trends with Pd. A wide range of ferromagnetic properties and Curie temperatures near room temperature in hitherto unexplored alloys is predicted in which Pd is replaced in varying degrees by, e.g., Ag, Au, and Cu.

Bibliography

Körmann, F., Ma, D., Belyea, D. D., Lucas, M. S., Miller, C. W., Grabowski, B., & Sluiter, M. H. F. (2015). “Treasure maps” for magnetic high-entropy-alloys from theory and experiment. Applied Physics Letters, 107(14).

Authors 7
  1. F. Körmann (first)
  2. D. Ma (additional)
  3. D. D. Belyea (additional)
  4. M. S. Lucas (additional)
  5. C. W. Miller (additional)
  6. B. Grabowski (additional)
  7. M. H. F. Sluiter (additional)
References 54 Referenced 96
  1. {'volume-title': 'High-Entropy Alloys', 'year': '2014', 'key': '2023061720120498100_c1a'} / High-Entropy Alloys (2014)
  2. 10.1016/j.pmatsci.2013.10.001 / Prog. Mater. Sci. (2014)
  3. 10.1126/science.1254581 / Science (2014)
  4. 10.1063/1.3538936 / J. Appl. Phys. (2011)
  5. 10.1063/1.4798340 / J. Appl. Phys. (2013)
  6. 10.1038/415150a / Nature (2002)
  7. 10.1016/j.scriptamat.2012.02.045 / Scr. Mater. (2012)
  8. 10.1007/s11837-012-0349-6 / JOM (2012)
  9. 10.1002/adma.201002180 / Adv. Mater. (2011)
  10. 10.1016/0304-8853(92)91049-Y / J. Magn. Magn. Mater. (1992)
  11. 10.1016/j.jallcom.2010.10.210 / J. Alloys Compd. (2011)
  12. 10.1103/PhysRevB.75.174442 / Phys. Rev. B (2007)
  13. 10.1103/PhysRevB.64.174402 / Phys. Rev. B (2001)
  14. 10.1103/PhysRevB.78.033102 / Phys. Rev. B (2008)
  15. 10.1103/PhysRevB.79.184406 / Phys. Rev. B (2009)
  16. 10.1063/1.2710181 / Appl. Phys. Lett. (2007)
  17. 10.1103/PhysRevB.75.054402 / Phys. Rev. B (2007)
  18. 10.1103/PhysRevB.81.134425 / Phys. Rev. B (2010)
  19. 10.1103/PhysRevB.55.14975 / Phys. Rev. B (1997)
  20. 10.1002/pssb.201350136 / Phys. Status Solidi B (2014)
  21. 10.1016/j.cossms.2015.06.001 / Curr. Opin. Solid State Mater. Sci. / Influence of magnetic excitations on the phase stability of metals and steels
  22. 10.1103/PhysRevB.70.024427 / Phys. Rev. B (2004)
  23. 10.1103/PhysRevB.71.214412 / Phys. Rev. B by Şaşıoğlu (2005)
  24. 10.1209/epl/i2003-00191-8 / Europhys. Lett. (2003)
  25. 10.1103/PhysRevB.68.081203 / Phys. Rev. B (2003)
  26. 10.1103/PhysRevLett.93.137202 / Phys. Rev. Lett. (2004)
  27. 10.1103/PhysRevB.77.014418 / Phys. Rev. B (2008)
  28. 10.1103/RevModPhys.82.1633 / Rev. Mod. Phys. (2010)
  29. 10.1063/1.370036 / J. Appl. Phys. (1999)
  30. 10.1103/PhysRevB.70.201202 / Phys. Rev. B (2004)
  31. 10.1103/PhysRevB.64.014107 / Phys. Rev. B (2001)
  32. 10.1103/PhysRevB.66.024201 / Phys. Rev. B (2002)
  33. 10.1103/PhysRevB.87.014405 / Phys. Rev. B (2013)
  34. 10.1103/PhysRevB.89.064103 / Phys. Rev. B (2014)
  35. 10.1016/S0927-0256(99)00098-1 / Comput. Mater. Sci. (2000)
  36. {'volume-title': 'Computational Quantum Mechanics for Materials Engineers: The EMTO Method and Applications', 'year': '2007', 'key': '2023061720120498100_c24f'} / Computational Quantum Mechanics for Materials Engineers: The EMTO Method and Applications (2007)
  37. 10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. (1996)
  38. 10.1103/PhysRev.156.809 / Phys. Rev. (1967)
  39. 10.1103/PhysRevB.5.2382 / Phys. Rev. B (1972)
  40. 10.1016/0304-8853(84)90367-6 / J. Magn. Magn. Mater. (1984)
  41. 10.1088/0305-4608/15/6/018 / J. Phys. F: Met. Phys. (1985)
  42. 10.1103/PhysRevB.88.085128 / Phys. Rev. B (2013)
  43. 10.1103/PhysRevB.87.075144 / Phys. Rev. B (2013)
  44. 10.1016/j.jallcom.2014.01.237 / J. Alloys Compd. (2014)
  45. 10.1016/j.ijrmhm.2014.07.009 / Int. J. Refract. Met. Hard Mater. (2014)
  46. 10.1088/0953-8984/27/7/075401 / J. Phys.: Condens. Matter (2015)
  47. 10.1016/j.actamat.2015.08.050 / Acta Mater. (2015)
  48. 10.1063/1.4918996 / Appl. Phys. Lett. (2015)
  49. 10.1007/s11837-013-0771-4 / JOM (2013)
  50. 10.1016/j.scriptamat.2015.05.041 / Scr. Mater. (2015)
  51. 10.1103/PhysRevB.13.5188 / Phys. Rev. B (1976)
  52. 10.1103/PhysRevLett.19.786 / Phys. Rev. Lett. (1967)
  53. 10.1002/adem.200700240 / Adv. Eng. Mater. (2008)
  54. 10.1103/PhysRevX.5.011041 / Phys. Rev. X (2015)
Dates
Type When
Created 9 years, 10 months ago (Oct. 6, 2015, 1 p.m.)
Deposited 2 years, 2 months ago (June 17, 2023, 4:12 p.m.)
Indexed 3 days, 8 hours ago (Aug. 23, 2025, 1:12 a.m.)
Issued 9 years, 10 months ago (Oct. 5, 2015)
Published 9 years, 10 months ago (Oct. 5, 2015)
Published Online 9 years, 10 months ago (Oct. 6, 2015)
Published Print 9 years, 10 months ago (Oct. 5, 2015)
Funders 3
  1. National Science Foundation 10.13039/100000001

    Region: Americas

    gov (National government)

    Labels4
    1. U.S. National Science Foundation
    2. NSF
    3. US NSF
    4. USA NSF
    Awards1
    1. 1522927
  2. European Research Council 10.13039/501100000781

    Region: Europe

    gov (National government)

    Labels1
    1. ERC
    Awards1
    1. 290998
  3. Deutsche Forschungsgemeinschaft 10.13039/501100001659

    Region: Europe

    gov (National government)

    Labels3
    1. German Research Association
    2. German Research Foundation
    3. DFG
    Awards1
    1. KO 5080/1-1

@article{K_rmann_2015, title={“Treasure maps” for magnetic high-entropy-alloys from theory and experiment}, volume={107}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.4932571}, DOI={10.1063/1.4932571}, number={14}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Körmann, F. and Ma, D. and Belyea, D. D. and Lucas, M. S. and Miller, C. W. and Grabowski, B. and Sluiter, M. H. F.}, year={2015}, month=oct }