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Ab-initio study of the bandgap engineering of Al(1-x)Ga(x)N for optoelectronic applications

TLDR
In this article, a theoretical study of Al(1-x)Ga(x)N, based on fullpotential linearized augmented plane wave method, is used to investigate the variations in the bandgap, optical properties and non-linear behavior of the compound with the variation of Ga concentration.
Abstract
A theoretical study of Al(1-x)Ga(x)N, based on full-potential linearized augmented plane wave method, is used to investigate the variations in the bandgap, optical properties and non-linear behavior of the compound with the variation of Ga concentration. It is found that the bandgap decreases with the increase of Ga in Al(1-x)Ga(x)N. A maximum value of 5.5 eV is determined for the bandgap of pure AlN which reaches to minimum value of 3.0 eV when Al is completely replaced by Ga. The static index of refraction and dielectric constant decreases with the increase in bandgap of the material, assigning a high index of refraction to pure GaN when compared to pure AlN. The refractive index drops below 1 for photon energies larger than 14 eV results group velocity of the incident radiation higher than the vacuum velocity of light. This astonishing result shows that at higher energies the optical properties of the material shifts from linear to non-linear. Furthermore, frequency dependent reflectivity and absorption coefficients show that peak value of the absorption coefficient and reflectivity shifts towards lower energy in the UV spectrum with the increase in Ga concentration. This comprehensive theoretical study of the optoelectronic properties of the alloys is presented for the first time which predicts that the material can be effectively used in the optical devices working in the visible and UV spectrum.

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Journal ArticleDOI

First principle study of the structural and optoelectronic properties of cubic perovskites CsPbM3 (M=Cl, Br, I)

TL;DR: In this article, the highly accurate all electrons full potential linearized augmented plane wave method is used to calculate structural, electronic, and optical properties of cubic perovskites CsPbM3 (M=Cl, Br, I).
Journal ArticleDOI

Density Functional Study of Cubic, Tetragonal, and Orthorhombic CsPbBr3 Perovskite.

TL;DR: D density functional theory was used to determine the structural, electronic, and optical properties of the cubic, tetragonal, and orthorhombic temperature-dependent phases of CsPbBr3 perovskite using the full-potential linear augmented plane wave method.
Journal ArticleDOI

Computational study of electronic, optical and thermoelectric properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites

TL;DR: In this article, structural, electronic, optical and thermoelectric properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites as a function of X cations belonging to the group IIA were investigated.
Journal ArticleDOI

Opto-electronic response of spinels MgAl2O4 and MgGa2O4 through modified Becke-Johnson exchange potential

TL;DR: In this paper, a modified Becke-Johnson (mBJ) exchange potential approximation is used to investigate the opto-electronic response of magnesium spinel oxides: MgAl 2O4 and MgGa2O4, and the predicted bandgaps using the mBJ exchange approximation show a significant improvement over previous theoretical work using the common LDA and GGA, and are very closer to the experimental results.
Journal ArticleDOI

The electronic, magnetic and optical properties of double perovskite A2FeReO6 (A = Sr, Ba) from first principles approach

TL;DR: A density functional theory employing generalized gradient approximation (GGA) and modified Becke Johnson (TB-mBJ) potential have been used to study the electronic, magnetic and optical properties of A 2 FeReO 6 (AFRO) as discussed by the authors.
References
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Optical Properties of Solids

Book

The Blue Laser Diode: GaN based Light Emitters and Lasers

TL;DR: The physics of gallium nitrides and related compounds GaN growth p-Type GaN obtained by electron beam irradiation n-Type GAN p-type GaN InGaN Zn and Si co-doped GaN double-heterostructure blue and blue green LEDs inGaN single-quantum-well structure LEDs room-temperature pulsed operation of laser diodes emission mechanisms of LEDs and LDs room temperature CW operation of InGAN MQW LDs latest results as discussed by the authors.
Journal ArticleDOI

Optical Properties of Solids

TL;DR: In this article, the authors propose a quantum theory of radiative absorption and emission in dielectric dielectrics, based on the classical propagation and interband absorption, respectively.
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Frequently Asked Questions (2)
Q1. What have the authors contributed in "Ab initio study of the bandgap engineering of al1−xgaxn for optoelectronic applications" ?

In this paper, density functional calculations are used to study optoelectronic properties of Al1−xGaxN 0 x 1. 

Density functional calculations are used to study optoelectronic properties of Al1−xGaxN 0 x 1.