Abstract
The segregation energy of magnetic materials (Fe, Co, Ni) embedded in some nonmagnetic hosts (Pd, Ag, Cu) is calculated using an approximate procedure based on ab initio calculations of three-dimensional periodic systems, performed in the spin polarized and paramagnetic states. Slabs with full layers of magnetic impurities or with ordered alloy layers are considered, separated by sufficient empty space so as to simulate free surfaces. We find that the considered magnetic atoms always prefer to lie embedded in the host metal and not to be located at the surfaces (positive segregation energy). The magnetic calculation gives a lower segregation energy than the nonmagnetic one, the difference being larger for AgCo and CuCo than for PdCo and FeCu. It is zero for CuNi. We have found, however, that this difference is independent of the local magnetization at the impurities. For example, it is 0.06 eV for Fe in Cu, where the magnetic moment is 2.4 ${\ensuremath{\mu}}_{B},$ and 0.12 eV for Co in Cu, where the magnetic moment is 1.6 ${\ensuremath{\mu}}_{B}.$
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
