First principles study of Ag, Au, and Cu surface segregation in FePt-L 10

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2010-11-29

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Abstract

Doping FePt nanoparticles could be a possible approach to achieve high L 10 order and magnetic anisotropy. To address stability, first-principles studies of surface segregation of dilute Ag/Au/Cu solutes at and near the (001)/(100)/(111) surfaces of FePt-L 10 are performed. It is found that a strong surface segregation tendency at first outer layer is present in all the cases. For Cu, segregation is less than half of Ag and Au. Ag and Cu segregate to Fe sites at surfaces and preferentially substitute for Fe in the bulk, whereas Au substitutes for Fe at surfaces and for Fe and Pt in the bulk. © 2010 American Institute of Physics.

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10.1063/1.3522652

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Chepulskii, RV, and S Curtarolo (2010). First principles study of Ag, Au, and Cu surface segregation in FePt-L 10. Applied Physics Letters, 97(22). p. 221908. 10.1063/1.3522652 Retrieved from https://hdl.handle.net/10161/3320.

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Scholars@Duke

Curtarolo

Stefano Curtarolo

Edmund T. Pratt Jr. School Distinguished Professor of Mechanical Engineering and Materials Science

RESEARCH FIELDS

  • Artificial Intelligence Materials Science
  • Autonomous Materials Design
  • Computational Materials Science
  • High-Entropy Disordered and Amorphous Systems
  • Materials for Energy Applications
  • Materials for Aerospace Applications
  • Materials for Deep Space Exploration

The research is multidisciplinary and makes use of state of the art techniques from fields like materials science, chemistry, physics, quantum mechanics, mathematics and computer science.


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