Vacancy-mediated fcc/bcc phase separation in Fe1-xNix ultrathin films

Abstract

The phase separation occurring in Fe-Ni thin films near the Invar composition is studied by using high-resolution spectromicroscopy techniques and density functional theory calculations. Annealed at temperatures around 300 C, Fe0.70Ni0.30 films on W(110) break into micron-sized bcc and fcc domains with compositions in agreement with the bulk Fe-Ni phase diagram. Ni is found to be the diffusing species in forming the chemical heterogeneity. The experimentally determined energy barrier of 1.59 +- 0.09 eV is identified as the vacancy formation energy via density functional theory calculations. Thus, the principal role of the surface in the phase separation process is attributed to vacancy creation without interstitials.

arXiv comment8 pages, 6 figures

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• Self-limited oxide formation in Ni(111) oxidation
• Surface stress of Ni adlayers on W(110): the critical role of the surface atomic structure