scholarly journals Numerical study of the electronic structure, elastic and optical properties of defect quaternary semiconductor CuGaSnSe4

2018 ◽  
Vol 9 ◽  
pp. 49-54 ◽  
Author(s):  
Kesheng Shen ◽  
Hai Lu ◽  
Xianzhou Zhang ◽  
Zhaoyong Jiao
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Numerical Study

Structural/Property Relationships for Optical Materials

1993 ◽  
Vol 329 ◽  
Author(s):  
Vivien D.
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Electronic Structure ◽  
Chemical Composition ◽  
Field Strength ◽  
Optical Materials ◽  
Site Occupancy ◽  
Laser Materials ◽  
Crystal Field Strength ◽  
The Matrix

AbstractIn this paper the relationships between the crystal structure, chemical composition and electronic structure of laser materials, and their optical properties are discussed. A brief description is given of the different laser activators and of the influence of the matrix on laser characteristics in terms of crystal field strength, symmetry, covalency and phonon frequencies. The last part of the paper lays emphasis on the means to optimize the matrix-activator properties such as control of the oxidation state and site occupancy of the activator and influence of its concentration.

scholarly journals Controlling the non-linear optical properties of MgO by tailoring the electronic structure

2020 ◽  
Vol 126 (3) ◽  
Author(s):  
Mukhtar Hussain ◽  
Hugo Pires ◽  
Willem Boutu ◽  
Dominik Franz ◽  
Rana Nicolas ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Non Linear ◽  
Linear Optical Properties ◽  
Linear Optical

scholarly journals DFT Study of Electronic Structure and Optical Properties of Kaolinite, Muscovite, and Montmorillonite

Crystals ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 618
Author(s):  
Layla Shafei ◽  
Puja Adhikari ◽  
Wai-Yim Ching
Keyword(s):  
Mechanical Properties ◽  
Optical Properties ◽  
Electronic Structure ◽  
Hydrogen Bonds ◽  
Clay Minerals ◽  
Clay Mineral ◽  
Bond Order ◽  
Deep Understanding ◽  
Pharmaceutical Applications ◽  
Structure Properties

Clay mineral materials have attracted attention due to their many properties and applications. The applications of clay minerals are closely linked to their structure and composition. In this paper, we studied the electronic structure properties of kaolinite, muscovite, and montmorillonite crystals, which are classified as clay minerals, by using DFT-based ab initio packages VASP and the OLCAO. The aim of this work is to have a deep understanding of clay mineral materials, including electronic structure, bond strength, mechanical properties, and optical properties. It is worth mentioning that understanding these properties may help continually result in new and innovative clay products in several applications, such as in pharmaceutical applications using kaolinite for their potential in cancer treatment, muscovite used as insulators in electrical appliances, and engineering applications that use montmorillonite as a sealant. In addition, our results show that the role played by hydrogen bonds in O-H bonds has an impact on the hydration in these crystals. Based on calculated total bond order density, it is concluded that kaolinite is slightly more cohesive than montmorillonite, which is consistent with the calculated mechanical properties.

scholarly journals Numerical Study on the Surface Plasmon Resonance Tunability of Spherical and Non-Spherical Core-Shell Dimer Nanostructures

Nanomaterials ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1728
Author(s):  
Joshua Fernandes ◽  
Sangmo Kang
Keyword(s):  
Refractive Index ◽  
Optical Properties ◽  
Surface Plasmon Resonance ◽  
Aspect Ratio ◽  
Surface Plasmon ◽  
Plasmon Resonance ◽  
Shell Thickness ◽  
Numerical Study ◽  
Field Enhancement ◽  
Core Shell

The near-field enhancement and localized surface plasmon resonance (LSPR) on the core-shell noble metal nanostructure surfaces are widely studied for various biomedical applications. However, the study of the optical properties of new plasmonic non-spherical nanostructures is less explored. This numerical study quantifies the optical properties of spherical and non-spherical (prolate and oblate) dimer nanostructures by introducing finite element modelling in COMSOL Multiphysics. The surface plasmon resonance peaks of gold nanostructures should be understood and controlled for use in biological applications such as photothermal therapy and drug delivery. In this study, we find that non-spherical prolate and oblate gold dimers give excellent tunability in a wide range of biological windows. The electromagnetic field enhancement and surface plasmon resonance peak can be tuned by varying the aspect ratio of non-spherical nanostructures, the refractive index of the surrounding medium, shell thickness, and the distance of separation between nanostructures. The absorption spectra exhibit considerably greater dependency on the aspect ratio and refractive index than the shell thickness and separation distance. These results may be essential for applying the spherical and non-spherical nanostructures to various absorption-based applications.

Electronic structure and optical properties of spinel structure Zn1-xNixAl2O4 nanopowders synthesized by sol-gel method

2021 ◽  
pp. 138582
Author(s):  
Qiang Lu ◽  
Zhiqiang Wei ◽  
Xiaojuan Wu ◽  
Shangpan Huang ◽  
Meijie Ding ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Spinel Structure ◽  
Sol Gel ◽  
Gel Method ◽  
Sol Gel Method

Electronic structure and optical properties of CuWO4: An ab initio study

2012 ◽  
Vol 63 ◽  
pp. 163-167 ◽  
Author(s):  
M.V. Lalić ◽  
Z.S. Popović ◽  
F.R. Vukajlović
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Ab Initio Study
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