scholarly journals Grating Theory Approach to Optics of Nanocomposites

Materials ◽  
2021 ◽  
Vol 14 (21) ◽  
pp. 6359
Author(s):  
Subhajit Bej ◽  
Toni Saastamoinen ◽  
Yuri P. Svirko ◽  
Jari Turunen
Keyword(s):  
Optical Properties ◽  
Absorption Spectra ◽  
Periodic Structures ◽  
Theory Approach ◽  
Large Collection ◽  
Linear Absorption ◽  
Host Matrix ◽  
Silver Nanorods ◽  
Fill Fraction ◽  
Unit Cells

Nanocomposites, i.e., materials comprising nano-sized entities embedded in a host matrix, can have tailored optical properties with applications in diverse fields such as photovoltaics, bio-sensing, and nonlinear optics. Effective medium approaches such as Maxwell-Garnett and Bruggemann theories, which are conventionally used for modeling the optical properties of nanocomposites, have limitations in terms of the shapes, volume fill fractions, sizes, and types of the nanoentities embedded in the host medium. We demonstrate that grating theory, in particular the Fourier Eigenmode Method, offers a viable alternative. The proposed technique based on grating theory presents nanocomposites as periodic structures composed of unit-cells containing a large and random collection of nanoentities. This approach allows us to include the effects of the finite wavelength of light and calculate the nanocomposite characteristics regardless of the morphology and volume fill fraction of the nano-inclusions. We demonstrate the performance of our approach by calculating the birefringence of porous silicon, linear absorption spectra of silver nanospheres arranged on a glass substrate, and nonlinear absorption spectra for a layer of silver nanorods embedded in a host polymer material having Kerr-type nonlinearity. The developed approach can also be applied to quasi-periodic structures with deterministic randomness or metasurfaces containing a large collection of elements with random arrangements inside their unit cells.

scholarly journals Tuning the optoelectronic properties of hematite with rhodium doping for photoelectrochemical water splitting using density functional theory approach

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Abdur Rauf ◽  
Muhammad Adil ◽  
Shabeer Ahmad Mian ◽  
Gul Rahman ◽  
Ejaz Ahmed ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Optical Absorption ◽  
Water Splitting ◽  
Density Functional ◽  
Formation Energy ◽  
Visible Region ◽  
Photoelectrochemical Water Splitting ◽  
Theory Approach ◽  
Functional Theory

AbstractHematite (Fe2O3) is one of the best candidates for photoelectrochemical water splitting due to its abundance and suitable bandgap. However, its efficiency is mostly impeded due to the intrinsically low conductivity and poor light absorption. In this study, we targeted this intrinsic behavior to investigate the thermodynamic stability, photoconductivity and optical properties of rhodium doped hematite using density functional theory. The calculated formation energy of pristine and rhodium doped hematite was − 4.47 eV and − 5.34 eV respectively, suggesting that the doped material is thermodynamically more stable. The DFT results established that the bandgap of doped hematite narrowed down to the lower edge (1.61 eV) in the visible region which enhanced the optical absorption and photoconductivity of the material. Moreover, doped hematite has the ability to absorb a broad spectrum (250–800) nm. The enhanced optical absorption boosted the photocurrent and incident photon to current efficiency. The calculated results also showed that the incorporation of rhodium in hematite induced a redshift in optical properties.

MODIFICATION OF CASIMIR FORCES DUE TO BAND GAPS IN PERIODIC STRUCTURES

2002 ◽  
Vol 17 (06n07) ◽  
pp. 798-803 ◽  
Author(s):  
C. VILLARREAL ◽  
R. ESQUIVEL-SIRVENT ◽  
G. H. COCOLETZI
Keyword(s):  
Density Of States ◽  
Casimir Force ◽  
Periodic Structures ◽  
Local Density ◽  
Band Gaps ◽  
Basic Unit ◽  
Local Density Of States ◽  
Casimir Forces ◽  
Unit Cells ◽  
The Difference

The Casimir force between inhomogeneous slabs that exhibit a band-like structure is calculated. The slabs are made of basic unit cells each made of two layers of different materials. As the number of unit cells increases the Casimir force between the slabs changes, since the reflectivity develops a band-like structure characterized by frequency regions of high reflectivity. This is also evident in the difference of the local density of states between free and boundary distorted vacuum, that becomes maximum at frequencies corresponding to the band gaps. The calculations are restricted to vacuum modes with wave vectors perpendicular to the slabs.

Influence of Bi2O3 on Borophosphate Glasses Properties

2014 ◽  
Vol 979 ◽  
pp. 343-346 ◽  
Author(s):  
Natthakridta Chanthima ◽  
Jakrapong Kaewkhao
Keyword(s):  
Optical Properties ◽  
Molar Volume ◽  
Absorption Spectra ◽  
Packing Density ◽  
Visible Range ◽  
Melt Quenching ◽  
Borophosphate Glasses ◽  
Borophosphate Glass ◽  
Uv Visible

Borophosphate glasses have been synthesized with a Bi2O3concentration of 15.0 to 25.0 mol%, added 2.5 mol% for each concentration, by the normal melt quenching technique at 1200 °C. The physical and optical properties of bismuth borophosphate glass systems have been studied. The glasses are characterized for their physical and optical properties. The density and molar volume of these glasses were found in the range 3.4391 to 3.9338 g/cm3and 52.2515 to 55.7557 cm3/mol, respectively. It was observed that the density and molar volume of these glasses was increased with increasing the concentration of Bi2O3. The absorption spectra of these glasses were recorded in the UV-Visible range. It has been found that, the absorption spectra were shifted to longer wavelength with higher Bi2O3concentration. In addition, the oxygen packing density of glass samples have been also investigated.

Hierarchical Design of Phononic Materials and Structures

2005 ◽  
Author(s):  
Mahmoud I. Hussein ◽  
Gregory M. Hulbert ◽  
Richard A. Scott
Keyword(s):  
Wave Scattering ◽  
Design Methodology ◽  
Periodic Structures ◽  
Building Blocks ◽  
Hierarchical Design ◽  
Material Interfaces ◽  
Dynamical Characteristics ◽  
Constituent Material ◽  
Unit Cells ◽  
Damping Materials

Within periodically heterogeneous materials and structures, wave scattering and dispersion occur across constituent material interfaces leading to a banded frequency response. A novel multiscale dispersive design methodology is presented by which periodic unit cells are designed for desired frequency band structures, and are used as building blocks for forming fully or partially periodic structures, typically at larger length scales. Structures resulting from this hierarchical design approach are tailored to desired dynamical characteristics without the necessity for altering the overall geometric shape of the structure nor employing dissipative damping materials. Case studies are presented for shock isolation and frequency sensing.

OPTICAL PROPERTIES OF CdTe AND CdS QUANTUM DOTS IN GLASS

1992 ◽  
Vol 01 (01) ◽  
pp. 25-50 ◽  
Author(s):  
V. ESCH ◽  
K. KANG ◽  
B. FLUEGEL ◽  
Y.Z. HU ◽  
G. KHITROVA ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Optical Properties ◽  
Optical Nonlinearities ◽  
Cds Quantum Dots ◽  
Temperature Dependent ◽  
Linear Absorption ◽  
Crystallite Sizes ◽  
Band Mixing ◽  
Quantum Confined ◽  
Coulomb Effects

We summarize the linear and nonlinear optical properties of a variety of CdTe and CdS quantum dots in glass. The measured linear absorption of the CdTe sample is compared with calculations involving valence-band mixing due to the quantum confinement. The temperature dependence of the lowest quantum-confined transition and its linewidth for samples with various crystallite sizes are measured and compared with a simple model. It is found that the shift of the energetically lowest quantum-confined transition as a function of temperature is the same as the temperature-dependent band-gap reduction in bulk materials. Excitation of the sample with pulses ranging from femtoseconds to microseconds allows distinguishing between various mechanisms responsible for the observed optical nonlinearities. At very early times, phase-space filling and Coulomb interaction between the excited charged carriers are responsible for the absorption changes. At later times, Coulomb effects due to “trapped” carriers remain and last for nanoseconds or microseconds.

scholarly journals Linear absorption spectra of solvated thiouracils resolved at the hybrid RASPT2/MM level

2018 ◽  
Vol 515 ◽  
pp. 643-653 ◽  
Author(s):  
Artur Nenov ◽  
Irene Conti ◽  
Rocio Borrego-Varillas ◽  
Giulio Cerullo ◽  
Marco Garavelli
Keyword(s):  
Absorption Spectra ◽  
Linear Absorption

scholarly journals Nonlinear Optical Properties of Spheroidal Metallic Inclusions in a Dielectric Medium

2011 ◽  
Vol 2011 ◽  
pp. 1-9
Author(s):  
Bernard de Dormale ◽  
Vo-Van Truong
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Symmetry Axis ◽  
Rotational Symmetry ◽  
Strong Dependence ◽  
Wavelength Region ◽  
Nonlinear Optical Properties ◽  
Linear Absorption ◽  
Direction Parallel ◽  
Depolarization Factor

A model for linear and nonlinear optical properties of a composite material consisting of spheroidal metal inclusions embedded in a host medium has been formulated using an effective medium approach. Both aligned and randomly oriented spheroids have been considered, and the results obtained showed a considerable difference between the two situations. Numerical calculations for metallic Au inclusions in a glass matrix have shown that the linear absorption in the case of aligned spheroids with their symmetry axis parallel to the z-axis is largely dependent on the depolarization factor, exhibiting an absorption in the vicinity of 500 nm when the depolarization factor in the direction parallel to the rotational symmetry axis is small. This structure shifts progressively to higher wavelengths when this depolarization factor is increased. In the case of randomly oriented spheroids, contributions from the different particle depolarization factors are present and prominent structures in the linear absorption appear in the long wavelength region, beyond 700 nm. Nonlinear optical properties for both aligned and randomly oriented spheroids also show a strong dependence on the depolarization factor and significant enhancements of these properties can be observed, suggesting possible tailoring of composite properties for various applications.

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