Electronic and optical properties of stanane and armchair stanane nanoribbons
- PDF / 1,724,625 Bytes
- 8 Pages / 595.276 x 790.866 pts Page_size
- 5 Downloads / 223 Views
Electronic and optical properties of stanane and armchair stanane nanoribbons Mojde Fadaie1,2 · Daryoosh Dideban3 · Og̈uz Gülseren4 Received: 13 October 2019 / Accepted: 24 April 2020 © Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract In this study, we performed a density functional theory based investigation of the structural, electronic, and optical properties of a stanane, fully hydrogenated stanene SnH, and armchair stanane nanoribbons ASnHNRs. Our full geometry optimization calculations show stanane has 0.84 Å buckled height and the buckled structure is preserved in ASnHNRs. The optimized lattice parameter of stanane, Sn–Sn, and Sn–H bond length are 4.58 Å, 2.75Å, and 1.73 Å, respectively. Electronic structure calculations show that stanane is a moderate-band-gap semiconductor with a direct band gap of 1.2 eV and ASnHNRs are wide-band-gap semiconductors. The band gap of ASnHNRs decreases as the ribbons width increases. We investigated the optical properties for two directions of polarization. For perpendicular-polarized light, the imaginary part of dielectric function 𝜀2 (𝜔) of stanane peaks between 5 and 10 eV; while for the parallel-polarized light, the peaks are seen in a wide range of energy. According to the results, stanane is a good absorptive matter, especially for visible regions of the electromagnetic spectrum. The presence of anisotropy with respect to the type of light polarization is observed in ASnHNRs also. In these structures, the main peak of 𝜀2 (𝜔) is located at 3.4 eV for parallel- and in 6–8 eV for perpendicular-polarized light. Keywords Stanene · Two-dimensional structure · Dielectric function · Structural properties · Optical properties · Stanane · Topological insulator
1 Introduction Graphene is a two-dimensional honeycomb lattice of carbon atoms which has attracted a great deal of attention because of its unique mechanical, magnetic, and electronic properties [1–3]. Theoretical and experimental investigations have shown that graphene can exist in quasi-one-dimensional structures [4–6] which are called graphene nanoribbons (GNRs). The electronic properties of these materials are closely related to their dimensionality. In contrast to graphene, GNRs are nonzero band
* Mojde Fadaie [email protected]; [email protected] 1
Department of Physics, Koç University, Istanbul, Turkey
2
Department of Physics, University of Montreal - MIL Campus, Montreal, Canada
3
Department of Electrical and Computer Engineering, University of Kashan, Kashan, Iran
4
Department of Physics, Bilkent University, Ankara, Turkey
gap structures [7]. Various theoretical and experimental studies show the remarkable properties of GNRs. Some of these investigations focus on the adsorption of single atoms and molecules on the bare graphene and graphene nanoribbons [8–11]. These new structures could be suitable candidates for use in nano-scale electronics [12], bioelectronics [13], gas sensors [14], hydrogen storage [15], and spintronic devices [16]. Among various a
Data Loading...
