Browsing by Subject "Optical Properties"

Now showing 1 - 3 of 3

Open Access
Adsorption of group IV elements on graphene, silicene, germanene and stanene: dumbbell formation
(ACS Publications, 2014-12-09) Ozcelik, V. O.; Kecik, D.; Durgun, Engin; Çıracı, Salim
Silicene and germanene derivatives constructed from periodic dumbbell units play a crucial role in multilayers of these honeycomb structures. Using first-principles calculations based on density functional theory, here we investigate the dumbbell formation mechanisms and energetics of Group IV atoms adsorbed on graphene, silicene, germanene and stanene monolayer honeycomb structures. The stabilities of the binding structures are further confirmed by performing ab-initio molecular dynamics calculations at elevated temperatures, except for stanene which is subject to structural instability upon the adsorption of adatoms. Depending on the row number of the adatoms and substrates we find three types of binding structures, which lead to significant changes in the electronic, magnetic, and optical properties of substrates. In particular, Si, Ge and Sn adatoms adsorbed on silicene and germanene form dumbbell structures. Furthermore, dumbbell structures occur not only on single layer, monatomic honeycomb structures, but also on their compounds like SiC and SiGe. We show that the energy barrier to the migration of a dumbbell structure is low due to the concerted action of atoms. This renders dumbbells rather mobile on substrates to construct new single and multilayer Si and Ge phases.
Open Access
Mechanical, electronic, and optical properties of Bi2S3 and Bi2Se3 compounds: first principle investigations
(Springer Berlin Heidelberg, 2014) Koc, H.; Ozisik, H.; Deligoz, E.; Mamedov, A. M.; Özbay, Ekmel
The structural, mechanical, electronic, and optical properties of orthorhombic Bi2S3 and Bi2Se3 compounds have been investigated by means of first principles calculations. The calculated lattice parameters and internal coordinates are in very good agreement with the experimental findings. The elastic constants are obtained, then the secondary results such as bulk modulus, shear modulus, Young's modulus, Poisson's ratio, anisotropy factor, and Debye temperature of polycrystalline aggregates are derived, and the relevant mechanical properties are also discussed. Furthermore, the band structures and optical properties such as real and imaginary parts of dielectric functions, energy-loss function, the effective number of valance electrons, and the effective optical dielectric constant have been computed. We also calculated some non-linearities for Bi2S3 and Bi2Se3 (tensors of elasto-optical coefficients) under pressure
Open Access
Plasmonic metamaterials and nanocomposites with the narrow transparency window effect in broad extinction spectra
(American Chemical Society, 2014) Zhang, H.; Demir, Hilmi Volkan; Govorov, A. O.
We propose and describe plasmonic nanomaterials with unique optical properties. These nanostructured materials strongly attenuate light across a broad wavelength interval ranged from 400 nm to S pm but exhibit a narrow transparency window centered at a given wavelength. The main elements used in our systems are nanorods and nanocrosses of variable sizes. The nanomaterial can be designed as a solution, nanocomposite film or metastructure. The principle of the formation of the transparency window in the broad extinction spectrum is based on the narrow lines of longitudinal plasmons of single nanorods and nanorod complexes. To realize the spectrum with a transmission window, we design a nanocomposite material as a mixture of nanorods of different sizes. Simultaneously, we exclude nanorods of certain lengths from the nanorod ensemble. The width of the plasmonic transparency window is determined by the intrinsic and radiative broadenings of the nanocrystal plasmons. Nanocrystals can be randomly dispersed in a solution or arranged in metastructures. We show that interactions between nanocrystals in a dense ensemble can destroy the window effect and, simultaneously, we design the metastructure geometries with weak destructive interactions. We also describe the effect of narrowing of the transparency window with increasing the concentration of nanocrystals. Two well-established technologies can be used to fabricate such nano- and metamaterials, the colloidal synthesis, and lithography. Nanocomposites proposed here can be used as optical materials and smart coatings for shielding of electromagnetic radiation in a wide spectral interval with a simultaneous possibility of communication using a narrow transparency window.