First-principles investigation of mechanical properties of silicene, germanene and stanene

Bohayra Mortazavi, Obaidur Rahaman, Meysam Makaremi, Arezoo Dianat, Gianaurelio Cuniberti, Timon Rabczuk

Research output: Contribution to journalArticle

75 Citations (Scopus)

Abstract

Two-dimensional allotropes of group-IV substrates including silicene, germanene and stanene have recently attracted considerable attention in nanodevice fabrication industry. These materials involving the buckled structure have been experimentally fabricated lately. In this study, first-principles density functional theory calculations were utilized to investigate the mechanical properties of single-layer and free-standing silicene, germanene and stanene. Uniaxial tensile and compressive simulations were carried out to probe and compare stress-strain properties; such as the Young's modulus, Poisson's ratio and ultimate strength. We evaluated the chirality effect on the mechanical response and bond structure of the 2D substrates. Our first-principles simulations suggest that in all studied samples application of uniaxial loading can alter the electronic nature of the buckled structures into the metallic character. Our investigation provides a general but also useful viewpoint with respect to the mechanical properties of silicene, germanene and stanene.

Original languageEnglish
Pages (from-to)228-232
Number of pages5
JournalPhysica E: Low-Dimensional Systems and Nanostructures
Volume87
DOIs
Publication statusPublished - 2017 Mar 1
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics

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