New 122-materials for optoelectronic applications: An ab-initio comparison analysis

Boublenza, D.E.; Zaoui, A.; Djermouni, M.; Kacimi, S.; Lekhal, A.; Drief, F.; Abderrahmane, S. Ait

doi:10.1016/j.mssp.2021.105949

Cited by 4 publications

(2 citation statements)

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“…The quantity of light that is refracted by a substance is be determined by its refractive index, which is strongly tied to infinitesimal atomic interactions [47]. A key factor known as material's refractive index plays a vital role in the design of industrial optical materials including optical thin films, optical lenses and pigments [38].…”

Section: Refractive Indexmentioning

confidence: 99%

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Nabi

Anwar

Ahmad

et al. 2022

Preprint

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The first Principle calculations are made to study the structural electronic and optical properties for indium doped aluminum antimonide. The most appropriate method of density functional theory (DFT) naming Full Potential Linearized Augmented Plane Wave (FP-LAPW) is used. The structural properties like Lattice constant (a), pressure derivative, bulk modulus (B) examined by Local density approximation (LDA) along with generalized gradient approximation (GGA). Generalized gradient approximation along with TB-mBJ is used to determine electronic parameters like band structure along and density of states. According to the computed results the binary compound AlSb is optically inactive and exhibits an indirect (Γ -X) band gap. By increasing the concentration of indium with different percentages, the indirect band gape shifted to direct (Γ – Γ) band gap which shows material is optically active. The optical properties of material including dielectric (Real and imaginary part) constant, reflectivity, refractive index, energy loss, absorption coefficient, and optical conductivity have changed significantly. Electronic and optical properties are modified by (TB-mBJ) approach. The results obtained are examined with experimental data and utilized as a starting point to propose that the material is the superlative choice for optoelectronic devices/applications.

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Section: Refractive Indexmentioning

confidence: 99%

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Nabi

Anwar

Ahmad

et al. 2022

Preprint

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“…22 The structural, electronic, and optical properties of twenty-four XY 2 Z 2 compounds with a tetragonal ThCr 2 Si 2 -type structure (X = Ca, Sr, Ba; Y = Zn, Cd; and Z = N, P, As, Sb) enable them to be novel candidates for optoelectronic applications. 23 The band inversion induced by the application of a negative pressure is found for CaCd 2 As 2 , SrCd 2 As 2 , and BaCd 2 As 2 . 24 The structural, elastic, and electronic properties of BaZn 2 As 2 with different phases were evaluated in a previous study.…”

Section: Introductionmentioning

confidence: 95%

Discovering the desirable physical properties of arsenic compounds AB₂As₂ and their alloys: a theoretical study

Liu

Peng

2022

Phys. Chem. Chem. Phys.

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Correlation between structural, electronic, and optical response of Ga-doped AlSb for optoelectronic applications: a first principle study

et al. 2022

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New 122-materials for optoelectronic applications: An ab-initio comparison analysis

Cited by 4 publications

References 77 publications

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Discovering the desirable physical properties of arsenic compounds AB₂As₂ and their alloys: a theoretical study

Correlation between structural, electronic, and optical response of Ga-doped AlSb for optoelectronic applications: a first principle study

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New 122-materials for optoelectronic applications: An ab-initio comparison analysis

Cited by 4 publications

References 77 publications

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Discovering the desirable physical properties of arsenic compounds AB2As2 and their alloys: a theoretical study

Correlation between structural, electronic, and optical response of Ga-doped AlSb for optoelectronic applications: a first principle study

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Discovering the desirable physical properties of arsenic compounds AB₂As₂ and their alloys: a theoretical study