On the prediction of crystal morphology

On the prediction of crystal morphology. III. Equilibrium and growth behaviour of crystal faces containing multiple connected nets

Grimbergen-RFP; Bennema-P; Meekes-H

ACTA-CRYSTALLOGRAPHICA-SECTION-A. JAN 1999; 55 Part 1 : 84-94

In this paper, the equilibrium and growth behaviour of faces (hkl) with more than one connected net is studied. It is shown that for these types of orientation different surface phases exist under equilibrium conditions as a function of temperature. Depending on the exact bonding topology at the surface, hat, rough or disordered flat phases are found. Moreover, the growth rate R-hkl of such faces can differ significantly from the usually calculated relative growth rates based on the attachment energy. Monte Carlo simulations confirm the results from the Hartman-Perdok analyses and offer a tool for the prediction of the crystal habit as a function of supersaturation.