Physics of the Solid State
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Phase-field simulation of two-dimensional material formation during epitaxial growth
L'vov P.E.
1,2, Kochaev A.I.
1,3
1Ulyanovsk State University, Ulyanovsk, Russia
2 Institute of Nanotechnology of Microelectronics, Russian Academy of Sciences, Moscow, Russia
3National Research Nuclear University “MEPhI”, Moscow, Russia
2 Institute of Nanotechnology of Microelectronics, Russian Academy of Sciences, Moscow, Russia
3National Research Nuclear University “MEPhI”, Moscow, Russia
Email: LvovPE@ulsu.ru
In this study, we develop a phase-field model of the formation of two-dimensional (2D) materials during epitaxial growth. The model accounts for the anisotropy of boundary energy, thermal fluctuations, and the presence of continuous deposition and evaporation of atoms from the substrate surface. We investigate the formation of islands with hexagonal and triangular geometry proper to 2D materials, as well as the processes of their growth and coalescence up to the formation of a solid film. During the coalescence of two or more islands, we observed the formation of structure defects, which exhibit non-equilibrium character and gradually relax to an equilibrium shape. Some regularities of the dynamics of average size, surface number density, and size distribution function of islands are investigated. Keywords:: phase-field theory, 2D-materials, epitaxial growth, anisotropy of the boundary energy, faceting.
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