First-principles computation of surface segregation in L10 CoPt magnetic nanoparticles
Zhenyu Liu1, Yinkai Lei1, Guofeng Wang1
1Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, PA 15261, USA.
None:
In this study, we have employed the first-principles density functional theory (DFT) computational method to predict the influence of surface segregation on the magnetic properties of small L10 CoPt nanoparticles. For both the modelled cuboidal (with a chemical formula of Co26Pt12) and cuboctahedral (with a chemical formula of Co18Pt20) CoPt nanoparticles, the DFT calculations predict that Pt surface segregation should occur thermodynamically. Associated with this Pt surface segregation, the surface-segregated CoPt magnetic nanoparticles are predicted to have significantly reduced magnetic moments and magnetic anisotropy energies than those of the corresponding bulk-terminated (i.e. non-segregated) nanoparticles. Hence, our study suggests that surface segregation could deteriorate the magnetic properties of CoPt nanoparticles.
More Related Videos
Related Concept Videos
Potential Due to a Magnetized Object
The vector...
Ferromagnetism
Magnetic Susceptibility and Permeability
When diamagnetic materials are placed under an external magnetic field, the moments opposite to the field are induced. Hence, the susceptibility for diamagnets has a minimal negative value of 10-5–10-6. Since...
Divergence and Curl of Magnetic Field
Valence Bond Theory
Magnetostatic Boundary Conditions


