Identification of triangular-shaped defects often appeared in hard-sphere crystals grown on a square pattern under gravity by Monte Carlo simulations

Atsushi Mori; Yoshihisa Suzuki

doi:10.1016/j.physb.2014.07.012

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arXiv · 1406.7697

Identification of triangular-shaped defects often appeared in hard-sphere crystals grown on a square pattern under gravity by Monte Carlo simulations

Atsushi Mori·Yoshihisa Suzuki

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Abstract

In this paper, we have successfully identified the triangular-shaped defect structures with stacking fault tetrahedra. These structure often appeared in hard-sphere (HS) crystals grown on a square pattern under gravity. We have, so far, performed Monte Carlo simulations of the HS crystals under gravity. Single stacking faults as observed previously in the HS crystals grown on a flat wall were not seen in the case of square template. Instead, defect structures with triangular appearance in $xz$- and $yz$- projections were appreciable. We have identified them by looking layer by layer. Those structures are surrounded by stacking faults along face-centered cubic (fcc) {111}. Also, we see isolated vacancies and vacancy-interstitial pairs, and we have found octahedral structures surrounded by stacking faults along fcc {111}.

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Atsushi Mori, Yoshihisa Suzuki. 2014-06-30. Identification of triangular-shaped defects often appeared in hard-sphere crystals grown on a square pattern under gravity by Monte Carlo simulations. https://doi.org/10.1016/j.physb.2014.07.012

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