Molecular dynamics simulation of melting of silicene

TK Min and TL Yoon and TL Lim, MATERIALS RESEARCH EXPRESS, 5, 065054 (2018).

DOI: 10.1088/2053-1591/aacdb7

We report the melting temperature of free-standing silicene by carrying out molecular dynamics (MD) simulation experiments using optimized Stillinger-Weber (SW) potential by Zhang et al (2014 Phys. Rev. B 89. 054310). The melting scenario of a free-standing silicene is well captured visually in our MD simulations. The data are systematically analyzed using a few qualitatively different indicators, including caloric curve, radial distribution function and a numerical indicator known as global similarity index. The optimized SW potential consistently yields a melting temperature of 1500 K for the simulated free-standing, infinite silicene.

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