Monte Carlo simulations of in-plane stacking disorder in hard-sphere crystals.
On-lattice Monte Carlo simulations of colloidal random-stacking hard-sphere colloidal crystals are presented. The model yields close-packed crystals with random-stacking hexagonal structure. We find a significant amount of in-plane stacking disorder, which slowly anneals in the course of the simulation. The in-plane stacking disorder leads to lateral broadening of the stacking-disorder-induced Bragg rods. It is found that not only the scattering intensity, but also the width is modulated along the Bragg rods.
Miedema
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PS
Van 't Hoff Laboratory for Physical and Colloid Chemistry, Department of Chemistry, Faculty of Science, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands.
de Villeneuve
V W A
VW
Petukhov
A V
AV