Electronic Structure and Optical Properties of α-CH3NH3PbBr3 Perovskite Single Crystal

2015 ◽  
Vol 6 (21) ◽  
pp. 4304-4308 ◽  
Author(s):  
Ji-Sang Park ◽  
Sukgeun Choi ◽  
Yong Yan ◽  
Ye Yang ◽  
Joseph M. Luther ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Single Crystal

Electronic structure and optical properties of LiGa0.5In0.5Se2 single crystal, a nonlinear optical mid-IR material

2018 ◽  
Vol 80 ◽  
pp. 12-21 ◽  
Author(s):  
A.A. Lavrentyev ◽  
B.V. Gabrelian ◽  
Tuan V. Vu ◽  
L.I. Isaenko ◽  
A.P. Yelisseyev ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Single Crystal ◽  
Nonlinear Optical

Experimental and theoretical investigation of the electronic structure and optical properties of TlHgCl3 single crystal

2015 ◽  
Vol 47 ◽  
pp. 445-452 ◽  
Author(s):  
A.H. Reshak ◽  
I.V. Kityk ◽  
Z.A. Alahmed ◽  
S. Levkovets ◽  
A.O. Fedorchuk ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Single Crystal ◽  
Theoretical Investigation

Single crystal growth, electronic structure and optical properties of Cs2HgBr4

2015 ◽  
Vol 85 ◽  
pp. 254-263 ◽  
Author(s):  
A.A. Lavrentyev ◽  
B.V. Gabrelian ◽  
V.T. Vu ◽  
P.N. Shkumat ◽  
O.V. Parasyuk ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Single Crystal Growth

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.

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