Surface segregation in nanoparticles from first principles: The case of FePt

Scripta Materialia

Volumn 62, Issue 4, 2010, Pages 179-182

  Chepulskii, Roman V ^a   Butler, W H ^b   van de Walle, A ^c   Curtarolo, Stefano ^a  

^a Duke University   (United States)

^b University of Alabama   (United States)

^c California Institute of Technology   (United States)

Author keywords

Cluster expansion; Magnetic anisotropy; Monte Carlo techniques; Nanocrystalline materials; Surface segregation

Indexed keywords

AB INITIO; CLUSTER EXPANSION; FE-PT NANOPARTICLE; FIRST-PRINCIPLES; MONTE CARLO SIMULATION; MONTE CARLO TECHNIQUES; ORDERED STATE; SUBSURFACE LAYER; SURFACE LAYERS; SURFACE THERMODYNAMICS; THERMODYNAMIC DRIVING FORCES;

COMPUTER SIMULATION; MAGNETIC ANISOTROPY; MONTE CARLO METHODS; NANOCRYSTALLINE MATERIALS; NANOPARTICLES; PLATINUM; SEGREGATION (METALLOGRAPHY); SURFACES; THERMODYNAMICS;

SURFACE SEGREGATION;

EID: 70450091398     PISSN: 13596462     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.scriptamat.2009.10.019     Document Type: Article

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