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

Mortazavi B, Rahaman O, Makaremi M, Dianat A, Cuniberti G, Rabczuk T (2017)

Publication Type: Journal article

Publication year: 2017

Journal

Physica E-Low-Dimensional Systems & Nanostructures Elsevier

Book Volume: 87

Pages Range: 228-232

DOI: 10.1016/j.physe.2016.10.047

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.

Involved external institutions

Tongji University / 同济大学 CN China (CN) Bauhaus-Universität Weimar DE Germany (DE) Carnegie Mellon University US United States (USA) (US) Technische Universität Dresden DE Germany (DE)

How to cite

APA:

Mortazavi, B., Rahaman, O., Makaremi, M., Dianat, A., Cuniberti, G., & Rabczuk, T. (2017). First-principles investigation of mechanical properties of silicene, germanene and stanene. Physica E-Low-Dimensional Systems & Nanostructures, 87, 228-232. https://doi.org/10.1016/j.physe.2016.10.047

MLA:

Mortazavi, Bohayra, et al. "First-principles investigation of mechanical properties of silicene, germanene and stanene." Physica E-Low-Dimensional Systems & Nanostructures 87 (2017): 228-232.

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