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

58 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

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mechanical properties
Mechanical properties
Chirality
Poisson ratio
Substrates
chirality
Density functional theory
modulus of elasticity
simulation
Elastic moduli
industries
density functional theory
Fabrication
fabrication
probes
electronics
Industry

ASJC Scopus subject areas

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

Cite this

First-principles investigation of mechanical properties of silicene, germanene and stanene. / Mortazavi, Bohayra; Rahaman, Obaidur; Makaremi, Meysam; Dianat, Arezoo; Cuniberti, Gianaurelio; Rabczuk, Timon.

In: Physica E: Low-Dimensional Systems and Nanostructures, Vol. 87, 01.03.2017, p. 228-232.

Research output: Contribution to journalArticle

Mortazavi, Bohayra ; Rahaman, Obaidur ; Makaremi, Meysam ; Dianat, Arezoo ; Cuniberti, Gianaurelio ; Rabczuk, Timon. / First-principles investigation of mechanical properties of silicene, germanene and stanene. In: Physica E: Low-Dimensional Systems and Nanostructures. 2017 ; Vol. 87. pp. 228-232.
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