Thermal stability of standalone silicene sheet

Extensive Monte Carlo simulations are carried out to study thermal stability of an infinite standalone silicon sheet. We used the Tersoff potential that has been used with success for silicon at low temperatures. However, the melting temperature $T_m$ calculated with the original parameters provided by Tersoff is too high with respect to the experimental one. Agrawal, Raff and Komanduri have proposed a modified set of parameters to reduce $T_m$. For comparison, we have used these two sets of parameters to study the stability and the melting of a standalone 2D sheet of silicon called "silicene", by analogy with graphene for the carbon sheet. We find that 2D crystalline silicene is stable up to a high temperature unlike in 2D systems with isotropic potentials such as Lennard-Jones. The differences in the obtained results using two sets of parameters are striking.

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Source https://hal.science/hal-00862045
Author Bocchetti, Virgile, Diep, Hung T., Enriquez, H., Oughaddou, H., Kara, A.
Maintainer CCSD
Last Updated May 9, 2026, 18:01 (UTC)
Created May 9, 2026, 18:01 (UTC)
Identifier hal-00862045
Language en
Rights https://about.hal.science/hal-authorisation-v1/
contributor Laboratoire de Physique Théorique et Modélisation (LPTM - UMR 8089) ; Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY)
creator Bocchetti, Virgile
date 2013-07-24T00:00:00
harvest_object_id f585c55c-0743-4ae0-b07a-04fc9bad6d03
harvest_source_id 3374d638-d20b-4672-ba96-a23232d55657
harvest_source_title test moissonnage SELUNE
metadata_modified 2025-03-08T00:00:00
relation info:eu-repo/semantics/altIdentifier/arxiv/1309.3828
set_spec type:UNDEFINED