First-principles study of rocksalt MgxZn1− xO: band structure and optical spectra

Drissi, Nidhal; Gueddim, A.; Bouarissa, N.

doi:10.1080/14786435.2020.1727974

Cited by 21 publications

(6 citation statements)

References 51 publications

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“…We determined the energy eigenvalues along with the radial wave function for both considered potentials. We noticed that the technic developed herein is extremely convenient to obtain satisfactory results approximation as for solving the Klein-Gordan equation furthermore, this approach can be used to enhance solid state computations in various areas of quantum physics or in conjunction with density functional theory [38][39][40][41][42][43][44][45].…”

Section: Discussionmentioning

confidence: 99%

Semi-inverse variational approach to solve the Klein-Gordon equation for harmonic- and perturbed Coulomb potentials

Reggab,

Gueddim,

Naas

2023

SEES

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The events observable at the atomic scale cannot be adequately explained by classical physics, hence a new conceptual framework for physics must be developed. "Quantum mechanics" is the name given to this new theory of the physical cosmos. The basic formula of relativistic quantum mechanics is the problem of Klein-Gordon. In relativistic quantum physics, the wave function is crucial since it contains all the data describing a quantum system, in relativity quantum physics, they are crucial. How to solve Klein Gordon's equation has been the topic of intense debate in recent years. To determine the system's spectrum using numerous potentials and methodologies. To obtain the Klein-Gordon issues solution Through determining the harmonic and perturbed Coulomb potentials' energies, The recent study employed an entirely distinct methodology. using the Semi-Inverse Variational Technique to aid in the process, we were able to identify the eigen energies for Harmonic- and Perturbed Coulomb Potentials for a variety of quantum numbers. A further benefit of the technique was that it enabled us to obtain the wave eigenfunctions for various potentials, demonstrating the viability of this approach. We are excited to deal with additional challenges in our upcoming works, the first being the use of nonlinear potentials to solve the Dirac equation due to the effectiveness of this approach.

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Section: Discussionmentioning

confidence: 99%

Semi-inverse variational approach to solve the Klein-Gordon equation for harmonic- and perturbed Coulomb potentials

Reggab,

Gueddim,

Naas

2023

SEES

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“…Optical properties deliberated to be the response of material to incident light and is important parameters for device applications [33]. Materials' optical characteristics include their dielectric constant, refractive index, reflectivity, absorption, optical conductivity, and energy loss [34].…”

Section: Optical Propertiesmentioning

confidence: 99%

First principle computation of structural, optical and electronic correlation of Mg-doped AlSb for optoelectronic applications

Nabi

Anwar

Wazir

et al. 2023

Preprint

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Density functional theory and exchange-correlation approximation are used to determine structural electronic and optical characteristics of Al1-xMgxSb (x =0, 0.25, 0.5, 0.75). We employ generalized gradient approximation (GGA-PBE) to calculate structural properties as lattice parameters, bulk moduli, and pressure derivatives are in good agreement with the experimental data. The GGA-PBE algorithm determines the density of states and band structure for electronic characteristics. These calculations show the optical inactivity and indirect (Γ-L) bandgap of the binary compound AlSb. When a variable percentage in AlSb raises Mg concentration, the bandgap decreases and switches from indirect bandgap (Γ-L) to direct bandgap) and the material starts to function optically. The optical properties of Mg-doped AlSb as reflectivity, optical conductivity, reflectivity, refractive index, dielectric constant and energy loss are significantly improved. The designated material is considered a gateway for optoelectronic and photonic applications.

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“…[25] For example, increasing the Mg content from 0 to 0.5 could improve the band gap from 3.2 to 3.9 eV. [26][27][28] Maharana et al used TiO 2 , MoO 3 , and WO 3 as potential buffer layer choices to develop the CZTS solar cells. [29] Transition metal oxide materials are suitable for the buffer layer as they can reduce the potential contact restriction.…”

Section: Characteristics Of Metal Oxide Materialsmentioning

confidence: 99%

Modeling of Copper Zinc Tin Sulfide Solar Cells with Various Buffers Using SCAPS‐1D

Zhang,

Chan,

2023

Physica Status Solidi (b)

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Recently, researchers have shown a strong interest in research on quaternary semiconductor copper zinc tin sulfide (CZTS) photovoltaic cells. These cells have a high absorption coefficient, a direct bandgap, and excellent electrical properties. However, the toxicity of cadmium (Cd) in the cadmium sulfide (CdS) buffer layer in standard CZTS solar cells, can generate severe environmental contamination that is hazardous to humans. As a result, building a Cd‐free CZTS solar cell is critical. Meanwhile, given that the peak power conversion efficiency of CZTS solar cells stands at a modest 11%, this study is dedicated to identifying an optimal approach for replacing the environmentally hazardous CdS layers to enhance overall efficiency. SCAPS‐1D is a one‐dimensional solar cell simulation program commonly used to examine proposed solar cells without building them. This study highlights the performance of CZTS with various nontoxic buffer layers, as well as the key results obtained through numerical research with SCAPS‐1D.

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First-principles study of rocksalt Mg_xZn1₋ _xO: band structure and optical spectra

Cited by 21 publications

References 51 publications

Semi-inverse variational approach to solve the Klein-Gordon equation for harmonic- and perturbed Coulomb potentials

Semi-inverse variational approach to solve the Klein-Gordon equation for harmonic- and perturbed Coulomb potentials

First principle computation of structural, optical and electronic correlation of Mg-doped AlSb for optoelectronic applications

Modeling of Copper Zinc Tin Sulfide Solar Cells with Various Buffers Using SCAPS‐1D

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