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- 저자 : Mohammed Benali Kanoun (검색결과 3 건)
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Bakhtiar Ul Haq,R. Ahmed,Mazmira Mohamad,A. Shaari,이주열,S. AlFaify,Mohammed Benali Kanoun,Souraya Goumri-Said 한국물리학회 2017 Current Applied Physics Vol.17 No.2
Highly mismatched alloys (HMAs) are getting a substantial interest of researchers because of holding competence of rapid change in physical properties with minor compositional change and consequently showing their potential for solar energy and photovoltaic applications. In the present density functional theory based work, we design HMAs from the extremely dissimilar GaP (semiconductor) and GaBi (semimetal). The alloying of the two compounds with unmatched electronic characteristics has triggered a rapid reduction in the energy gap of GaPBi. The energy gap is reduced by 39.3 meV for every 1% increase in Bi composition. The semiconductor behavior of GaPBi based HMAs is found to be transformed to semimetallic for replacing 64.6% of P atoms by Bi. Unlike the conventional alloys, the variation in the electronic energy gap of GaP1-xBix shows deviation from the Vegard's formalism. Where the optical properties are strongly influenced with the narrowing energy gap of GaPBi. For the Bi-rich GaPBi, the notable red shift is observed in optical dielectric function and absorption spectra. Moreover, the larger atomic size of Bi has enhanced the lattice parameters of Bi-rich GaPBi. The GaPBi based HMAs with tunable energy gap in the span of 2.51 eVe0 eV and the interesting optical properties highlight them prospective materials for optoelectronic applications.
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Goumri-Said Souraya,Shah Mazhar Ali,Azam Sikander,Irfan Muhammad,Kanoun Mohammed Benali 한국물리학회 2023 Current Applied Physics Vol.49 No.-
Ternary selenide chalcogenide Tl3AsSe3 compound was identified as one of the most promising novel materials and potentially appropriate for multifunction applications. Current computational study is focused on computation of optical properties of Tl3AsX3 (X = S and Se) system where Modified Becke Johnson (mBJ) approximation is employed. The calculations of band structure revealed that both materials were indirect bandgap semiconducting materials with bandgap 1.5 eV and 1.9 eV respectively. The valence band maxima are mainly created because of Tl/As/S/Se(s/p/p/p) orbitals and conduction band is formed thanks to hybridizations of Tl/ As/S/Se(p) orbitals. The optical properties including complex dielectric function, reflectivity, energy loss function, refractive index, and real optical conductivity also calculated by using first-principles calculations. Our investigations explained that the two materials sustain their positive value of the refractive index and thus is the non-negative index of refractions, so these materials are active candidates for optoelectronic applications.
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Haq, Bakhtiar Ul,Ahmed, R.,Mohamad, Mazmira,Shaari, A.,Rhee, JooYull,AlFaify, S.,Kanoun, Mohammed Benali,Goumri-Said, Souraya ELSEVIER 2017 Current Applied Physics Vol.17 No.2
<P>Highly mismatched alloys (HMAs) are getting a substantial interest of researchers because of holding competence of rapid change in physical properties with minor compositional change and consequently showing their potential for solar energy and photovoltaic applications. In the present density functional theory based work, we design HMAs from the extremely dissimilar GaP (semiconductor) and GaBi (semi metal). The alloying of the two compounds with unmatched electronic characteristics has triggered a rapid reduction in the energy gap of GaPBi. The energy gap is reduced by 39.3 meV for every 1% increase in Bi composition. The semiconductor behavior of GaPBi based HMAs is found to be transformed to semi metallic for replacing 64.6% of P atoms by Bi. Unlike the conventional alloys, the variation in the electronic energy gap of GaP1-xBix shows deviation from the Vegard's formalism. Where the optical properties are strongly influenced with the narrowing energy gap of GaPBi. For the Bi-rich GaPBi, the notable red shift is observed in optical dielectric function and absorption spectra. Moreover, the larger atomic size of Bi has enhanced the lattice parameters of Bi-rich GaPBi. The GaPBi based HMAs with tunable energy gap in the span of 2.51 eV-0 eV and the interesting optical properties highlight them prospective materials for optoelectronic applications. (C) 2016 Elsevier B.V. All rights reserved.</P>
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