MORPHOLOGY, OPTICAL PROPERTIES AND BAND STRUCTURE PARAMETERS OF MONOCRYSTALLINE SILICON MODIFIED BY COMPRESSION PLASMA FLOW

In this study, we have analyzed the electronic band structure and optical properties of AA-stacked bilayer graphene and its 2D analogues and compared the results with single layers. The calculations have been done using Density Functional Theory with Generalized Gradient Approximation as exchange correlation potential as in CASTEP. The study on electronic band structure shows the splitting of valence and conduction bands. A band gap of 0.342eV in graphene and an infinitesimally small gap in other 2D materials are generated. Similar to a single layer, AA-stacked bilayer materials also exhibit excellent optical properties throughout the optical region from infrared to ultraviolet. Optical properties are studied along both parallel (||) and perpendicular ( ) polarization directions. The complex dielectric function (ε) and the complex refractive index (N) are calculated. The calculated values of ε and N enable us to analyze optical absorption, reflectivity, conductivity, and the electron loss function. Inferences from the study of optical properties are presented. In general the optical properties are found to be enhanced compared to its corresponding single layer. The further study brings out greater inferences towards their direct application in the optical industry through a wide range of the optical spectrum.

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The Optical Properties, Energy Band Structure, and Interfacial Conductance of a 3C-SiC(111)/Si(111) Heterostructure Grown by the Method of Atomic Substitution

Technical Physics Letters ◽

10.1134/s1063785020110243 ◽

2020 ◽

Vol 46 (11) ◽

pp. 1103-1106 ◽

Cited By ~ 1

Author(s):

S. A. Kukushkin ◽

A. V. Osipov

Keyword(s):

Optical Properties ◽

Band Structure ◽

Energy Band ◽

Energy Band Structure ◽

Atomic Substitution

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A computational study to explore the effects of copper doping concentration on phase stability, electronic band structure and optical properties of CsSrF3 fluro-perovskite

Molecular Physics ◽

10.1080/00268976.2021.1892226 ◽

2021 ◽

pp. e1892226

Author(s):

Muhammad Rizwan ◽

Waqar Azam ◽

S. S. A. Gillani ◽

I. Zeba ◽

M. Shakil ◽

...

Keyword(s):

Optical Properties ◽

Band Structure ◽

Phase Stability ◽

Doping Concentration ◽

Electronic Band Structure ◽

Computational Study ◽

Electronic Band ◽

Copper Doping

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First principles calculations of structural, electronic and optical properties of InN compound

International Journal of Modern Physics B ◽

10.1142/s0217979215500289 ◽

2015 ◽

Vol 29 (05) ◽

pp. 1550028 ◽

Cited By ~ 4

Author(s):

R. Graine ◽

R. Chemam ◽

F. Z. Gasmi ◽

R. Nouri ◽

H. Meradji ◽

...

Keyword(s):

Optical Properties ◽

Band Structure ◽

Density Functional ◽

Local Density ◽

Indium Nitride ◽

Alternative Form ◽

Full Potential ◽

Generalized Gradient ◽

Pressure Derivative ◽

Electronic And Optical Properties

We carried out ab initio calculations of structural, electronic and optical properties of Indium nitride ( InN ) compound in both zinc blende and wurtzite phases, using the full-potential linearized augmented plane wave method (FP-LAPW), within the framework of density functional theory (DFT). For the exchange and correlation potential, local density approximation (LDA) and generalized gradient approximation (GGA) were used. Moreover, the alternative form of GGA proposed by Engel and Vosko (EV-GGA) and modified Becke–Johnson schemes (mBJ) were also applied for band structure calculations. Ground state properties such as lattice parameter, bulk modulus and its pressure derivative are calculated. Results obtained for band structure of these compounds have been compared with experimental results as well as other first principle computations. Our results show good agreement with the available data. The calculated band structure shows a direct band gap Γ → Γ. In the optical properties section, several optical quantities are investigated; in particular we have deduced the interband transitions from the imaginary part of the dielectric function.

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