First principles study of Ag, Au, and Cu surface segregation in FePt-L 10
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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.
Published Version (Please cite this version)10.1063/1.3522652
Publication InfoChepulskii, RV; & Curtarolo, S (2010). First principles study of Ag, Au, and Cu surface segregation in FePt-L 10. Applied Physics Letters, 97(22). pp. 221908. 10.1063/1.3522652. Retrieved from https://hdl.handle.net/10161/3320.
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Professor in the Department of Mechanical Engineering and Materials Science
RESEARCH FIELDS Nanoscale Science of Energy Computational materials science Nanotube growth characterization Alloy theory Superlubricity on quasicrystals Superconductivity in Metal borides Genetic Approaches to QM Predictions of Materials Structures Materials for Nuclear Detection The research is multidisciplinary and makes use of state of the art techniques from fields like materials science, chemis