Journal
PHYSICAL REVIEW LETTERS
Volume 103, Issue 3, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.103.035702
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Funding
- EU FP7 Collaborative [NMP4-SL-2008-213669]
- Hungarian Academy of Sciences [OTKA-K-62588]
- Academy of Finland via its COMP CoE
- Finnish Academy of Science and Letters
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We use a simple density functional approach on a diffusional time scale, to address freezing to the body-centered cubic (bcc), hexagonal close-packed (hcp), and face-centered cubic (fcc) structures. We observe faceted equilibrium shapes and diffusion-controlled layerwise crystal growth consistent with two-dimensional nucleation. The predicted growth anisotropies are discussed in relation with results from experiment and atomistic simulations. We also demonstrate that varying the lattice constant of a simple cubic substrate, one can tune the epitaxially growing body-centered tetragonal structure between bcc and fcc, and observe a Mullins-Sekerka-Asaro-Tiller-Grinfeld-type instability.
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