Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1500443 | Scripta Materialia | 2010 | 4 Pages |
Abstract
FePt nanoparticles are known to exhibit reduced L10 order with decreasing particle size. The phenomenon is addressed by investigating the thermodynamic driving forces for surface segregation using a local (inhomogeneous) cluster expansion fit to ab initio data. Subsequent Monte Carlo simulations reveal that first surface layer Pt segregation is compensated by Pt depletion in the second subsurface layer. This indicates that the core’s ordered state is not affected by surface thermodynamics as much as previously thought.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Roman V. Chepulskii, W.H. Butler, A. van de Walle, Stefano Curtarolo,