Jump to main content
Jump to site search

Issue 36, 2014
Previous Article Next Article

Mechanical properties and fracture dynamics of silicene membranes

Author affiliations

Abstract

As graphene has become one of the most important materials, there is renewed interest in other similar structures. One example is silicene, the silicon analogue of graphene. It shares some of the remarkable graphene properties, such as the Dirac cone, but presents some distinct ones, such as a pronounced structural buckling. We have investigated, through density functional based tight-binding (DFTB), as well as reactive molecular dynamics (using ReaxFF), the mechanical properties of suspended single-layer silicene. We calculated the elastic constants, analyzed the fracture patterns and edge reconstructions. We also addressed the stress distributions, unbuckling mechanisms and the fracture dependence on the temperature. We analysed the differences due to distinct edge morphologies, namely zigzag and armchair.

Graphical abstract: Mechanical properties and fracture dynamics of silicene membranes

Back to tab navigation

Article information


Submitted
02 Jul 2014
Accepted
31 Jul 2014
First published
01 Aug 2014

Phys. Chem. Chem. Phys., 2014,16, 19417-19423
Article type
Paper
Author version available

Mechanical properties and fracture dynamics of silicene membranes

T. Botari, E. Perim, P. A. S. Autreto, A. C. T. van Duin, R. Paupitz and D. S. Galvao, Phys. Chem. Chem. Phys., 2014, 16, 19417
DOI: 10.1039/C4CP02902J

Social activity

Search articles by author

Spotlight

Advertisements