Facet-controlled phase separation in supersaturated Au-Ni nanoparticles upon shape equilibration

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Authors

HERZ A. FRIÁK Martin ROSSBERG D. HENTSCHEL M. THESKA F. WANG D. HOLEC D. ŠOB Mojmír SCHNEEWEISS Oldřich SCHAAF P.

Year of publication 2015
Type Article in Periodical
Magazine / Source Applied Physics Letters
MU Faculty or unit

Central European Institute of Technology

Citation
Web http://scitation.aip.org/content/aip/journal/apl/107/7/10.1063/1.4928627
Doi http://dx.doi.org/10.1063/1.4928627
Field Solid matter physics and magnetism
Keywords GENERALIZED GRADIENT APPROXIMATION; NANOPOROUS GOLD NANOPARTICLES; AUGMENTED-WAVE METHOD; ELASTIC-CONSTANTS; BILAYER; NICKEL; FABRICATION; PRESSURE; ALLOYS; FILMS
Description Solid-state dewetting is used to fabricate supersaturated, submicron-sized Au-Ni solid solution particles out of thin Au/Ni bilayers by means of a rapid thermal annealing technique. Phase separation in such particles is studied with respect to their equilibrium crystal (or Wulff) shape by subsequent annealing at elevated temperature. It is found that {100} faceting planes of the equilibrated particles are enriched with Ni and {111} faces with Au. Both phases are considered by quantum-mechanical calculations in combination with an error-reduction scheme that was developed to compensate for a missing exchange-correlation potential that would reliably describe both Au and Ni. The observed phase configuration is then related to the minimization of strongly anisotropic elastic energies of Au- and Ni-rich phases and results in a rather unique nanoparticle composite state that is characterized by nearly uniform value of elastic response to epitaxial strains all over the faceted surface. The same conclusion is yielded also by evaluating bi-axial elastic moduli when employing interpolated experimental elastic constants. This work demonstrates a useful route for studying features of physical metallurgy at the mesoscale. (C) 2015 AIP Publishing LLC.
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