Details
| Originalsprache | Englisch |
|---|---|
| Seiten (von - bis) | 228-232 |
| Seitenumfang | 5 |
| Fachzeitschrift | Physica E: Low-Dimensional Systems and Nanostructures |
| Jahrgang | 87 |
| Frühes Online-Datum | 1 Nov. 2016 |
| Publikationsstatus | Veröffentlicht - März 2017 |
| Extern publiziert | Ja |
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.
ASJC Scopus Sachgebiete
- Werkstoffwissenschaften (insg.)
- Elektronische, optische und magnetische Materialien
- Physik und Astronomie (insg.)
- Atom- und Molekularphysik sowie Optik
- Physik und Astronomie (insg.)
- Physik der kondensierten Materie
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in: Physica E: Low-Dimensional Systems and Nanostructures, Jahrgang 87, 03.2017, S. 228-232.
Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review
}
TY - JOUR
T1 - First-principles investigation of mechanical properties of silicene, germanene and stanene
AU - Mortazavi, Bohayra
AU - Rahaman, Obaidur
AU - Makaremi, Meysam
AU - Dianat, Arezoo
AU - Cuniberti, Gianaurelio
AU - Rabczuk, Timon
N1 - Funding information: BM, OR and TR greatly acknowledge the financial support by European Research Council for COMBAT project (Grant number 615132).
PY - 2017/3
Y1 - 2017/3
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85007022831&partnerID=8YFLogxK
U2 - 10.1016/j.physe.2016.10.047
DO - 10.1016/j.physe.2016.10.047
M3 - Article
AN - SCOPUS:85007022831
VL - 87
SP - 228
EP - 232
JO - Physica E: Low-Dimensional Systems and Nanostructures
JF - Physica E: Low-Dimensional Systems and Nanostructures
SN - 1386-9477
ER -