Ab initio studies of the effect of nanoclusters on magnetostriction of Fe1-xGax alloys

ORAL

Abstract

We investigated the effects of B2-like and D0-like nanoclusters on the magnetostriction of Fe-xGax alloys, through systematic density functional calculations. While the B2-like Fe-Ga clusters still undergo slightly tetragonal distortion, D03-like Fe-Ga clusters remain to be cubic in the Fe matrix. Moreover, we found that B2-like nanostructures produce negative magnetostriction whereas D03- like nanostructures give small positive magnetostriction in Fe-xGax alloys. The formation of nanoscale precipitates cannot be the reason for the extraordinary enhancement of magnetostriction of Fe1-xGax alloys.

*Work was supported by the NSF, ONR and CAS, and supercomputer centers of DOD and CAS.

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Authors

  • Hui Wang

    • University of California, Irvine

  • Yanning Zhang

    • University of California, Irvine

  • Teng Yang

    • Institute of Metal Research and International Centre of Materials Physics, Chinese Academy of Sciences

  • Z.D. Zhang

    • Institute of Metal Research and International Centre of Materials Physics, Chinese Academy of Sciences

  • Lizhi Sun

    • University of California, Irvine

  • Ruqian Wu

    • University of California, Irvine
    • Department of Physics and Astronomy, University of California, Irvine