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Materials 2014, 7(3), 1473-1482; doi:10.3390/ma7031473
Letter

The Effect of Cobalt-Sublattice Disorder on Spin Polarisation in Co2FexMn1−xSi Heusler Alloys

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Received: 2 December 2013; in revised form: 26 December 2013 / Accepted: 18 February 2014 / Published: 25 February 2014
(This article belongs to the Special Issue Spintronics)
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Abstract: In this work we present a theoretical study of the effect of disorder on spin polarisation at the Fermi level, and the disorder formation energies for Co2FexMn1−xSi (CFMS) alloys. The electronic calculations are based on density functional theory with a Hubbard U term. Chemical disorders studied consist of swapping Co with Fe/Mn and Co with Si; in all cases we found these are detrimental for spin polarisation, i.e., the spin polarisation not only decreases in magnitude, but also can change sign depending on the particular disorder. Formation energy calculation shows that Co–Si disorder has higher energies of formation in CFMS compared to Co2MnSi and Co2FeSi, with maximum values occurring for x in the range 0.5–0.75. Cross-sectional structural studies of reference Co2MnSi, Co2Fe0.5Mn0.5Si, and Co2FeSi by Z-contrast scanning transmission electron microscopy are in qualitative agreement with total energy calculations of the disordered structures.
Keywords: heusler alloys; half-metals; thin films; spintronics materials heusler alloys; half-metals; thin films; spintronics materials
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Hasnip, P.J.; Loach, C.H.; Smith, J.H.; Probert, M.I.J.; Gilks, D.; Sizeland, J.; Lari, L.; Sagar, J.; Yoshida, K.; Oogane, M.; Hirohata, A.; Lazarov, V.K. The Effect of Cobalt-Sublattice Disorder on Spin Polarisation in Co2FexMn1−xSi Heusler Alloys. Materials 2014, 7, 1473-1482.

AMA Style

Hasnip PJ, Loach CH, Smith JH, Probert MIJ, Gilks D, Sizeland J, Lari L, Sagar J, Yoshida K, Oogane M, Hirohata A, Lazarov VK. The Effect of Cobalt-Sublattice Disorder on Spin Polarisation in Co2FexMn1−xSi Heusler Alloys. Materials. 2014; 7(3):1473-1482.

Chicago/Turabian Style

Hasnip, Philip J.; Loach, Christian H.; Smith, Joseph H.; Probert, Matthew I.J.; Gilks, Daniel; Sizeland, James; Lari, Leonardo; Sagar, James; Yoshida, Kenta; Oogane, Mikihiko; Hirohata, Atsufumi; Lazarov, Vlado K. 2014. "The Effect of Cobalt-Sublattice Disorder on Spin Polarisation in Co2FexMn1−xSi Heusler Alloys." Materials 7, no. 3: 1473-1482.


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