Point defects in crystals of charged colloids

J Chem Phys. 2021 Apr 28;154(16):164905. doi: 10.1063/5.0047034.

Abstract

Charged colloidal particles-on both the nano and micron scales-have been instrumental in enhancing our understanding of both atomic and colloidal crystals. These systems can be straightforwardly realized in the lab and tuned to self-assemble into body-centered-cubic (BCC) and face-centered-cubic (FCC) crystals. While these crystals will always exhibit a finite number of point defects, including vacancies and interstitials-which can dramatically impact their material properties-their existence is usually ignored in scientific studies. Here, we use computer simulations and free-energy calculations to characterize vacancies and interstitials in FCC and BCC crystals of point-Yukawa particles. We show that, in the BCC phase, defects are surprisingly more common than in the FCC phase, and the interstitials manifest as so-called crowdions: an exotic one-dimensional defect proposed to exist in atomic BCC crystals. Our results open the door to directly observe these elusive defects in the lab.