First-principles investigation of mechanical properties of silicene, germanene and stanene
By Bohayra Mortazavi, Obaidur Rahaman, Meysam Makaremi, A. Dianat, Gianaurelio Cuniberti, Timon Rabczuk. 2017
216 citations recorded by the source corpus.
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.
Subfields: Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/56a442c01f7fa372979c0c9269e92853fb5dfe59
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In Materials Chemistry
Citations in the corpus
- Chemical and structural stability of 2D layered materials (2019, background): “[31] Mortazavi B, Rahaman O, Makaremi M, Dianat A, Cuniberti G”
- Tailoring the mechanical properties of 2D materials and heterostructures (2018, background): “4 N m−1 for silicene, stanene and germanene, respectively [98].”