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https://hdl.handle.net/11147/5775
Title: | Mechanical properties of monolayer GaS and GaSe crystals | Authors: | Yağmurcukardeş, Mehmet Senger, Ramazan Tuğrul Peeters, François M. Şahin, Hasan |
Keywords: | Graphene GaS crystals GaSe crystals Monolayers Mechanical properties Strength |
Publisher: | American Physical Society | Source: | Yağmurcukardeş, M., Senger, R. T., Peeters, F. M., and Şahin, H. (2016). Mechanical properties of monolayer GaS and GaSe crystals. Physical Review B, 94(24). doi:10.1103/PhysRevB.94.245407 | Abstract: | The mechanical properties of monolayer GaS and GaSe crystals are investigated in terms of their elastic constants: in-plane stiffness (C), Poisson ratio (ν), and ultimate strength (σU) by means of first-principles calculations. The calculated elastic constants are compared with those of graphene and monolayer MoS2. Our results indicate that monolayer GaS is a stiffer material than monolayer GaSe crystals due to the more ionic character of the Ga-S bonds than the Ga-Se bonds. Although their Poisson ratio values are very close to each other, 0.26 and 0.25 for GaS and GaSe, respectively, monolayer GaS is a stronger material than monolayer GaSe due to its slightly higher σU value. However, GaS and GaSe crystals are found to be more ductile and flexible materials than graphene and MoS2. We have also analyzed the band-gap response of GaS and GaSe monolayers to biaxial tensile strain and predicted a semiconductor-metal crossover after 17% and 14% applied strain, respectively, for monolayer GaS and GaSe. In addition, we investigated how the mechanical properties are affected by charging. We found that the flexibility of single layer GaS and GaSe displays a sharp increase under 0.1e/cell charging due to the repulsive interactions between extra charges located on chalcogen atoms. These charging-controllable mechanical properties of single layers of GaS and GaSe can be of potential use for electromechanical applications. © 2016 American Physical Society. | URI: | http://doi.org/10.1103/PhysRevB.94.245407 http://hdl.handle.net/11147/5775 |
ISSN: | 2469-9950 2469-9950 2469-9969 |
Appears in Collections: | Photonics / Fotonik Physics / Fizik Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection |
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