Contribution a l'etude structurale despolyphenyles : implications dans les phenomenes lies aux transitions de phase

CNRS T 58250 / INIST-CNRS - Institut de l'Information Scientifique et TechniqueSIGLEFRFranc

Theoretical study of ternary compounds MgSiAs2 and MgGeAs2 using Wien2K code: Photovoltaic application

<p>In this work, we present the results of the structural, electronic, optical properties of MgSiAs2 and MgGeAs2 ternary semiconductors using the FP-LAPW method, based on density functional theory (DFT), in the framework of the GGA approximation. The equilibrium lattice constants and the compressibility modulus for ternary compounds were calculated. The optimized structural equilibrium parameters (a, c) are in good agreement with the available results. Calculations of electronic properties show that ternary compounds are direct bandgap semiconductors. The dielectric function, the refractive index, the absorption coefficient and the reflectivity of the ternary compounds MgSiAs2 and MgGeAs2 as a function of the energy E in summer perform. The results obtained are in good agreement with other theoretical and experimental work available in the literature.</p&gt

First-principles computations of YxGa1−x As-ternary alloys: a study on structural, electronic, optical and elastic properties

In this work, the first-principles computational study on the structural, elastic, electronic and optical properties of Y xGa 1 - xAs as a function of yttrium concentration (x) is presented. The computations are performed using the full-potential linearized augmented plane wave plus local orbital method designed within density functional theory. Firstly, we performed our calculations on the most stable phases, NaCl and zinc blende, then their transition pressure for each concentration is determined and analysed. Our computed results for the zero yttrium concentration are found consistent with the available experimental measurements as well as with theoretical predictions. Moreover, the dependencies of these parameters upon yttrium concentration (x) were found to be non-linear. We also report computed results on electronic-band structure, electronic energy band gap results and density of states. A systematic study on optical properties to analyse its optoelectronic character and elastic properties is presented. © 2019, Indian Academy of Sciences

Abstracts of 1st International Conference on Computational & Applied Physics

This book contains the abstracts of the papers presented at the International Conference on Computational & Applied Physics (ICCAP’2021) Organized by the Surfaces, Interfaces and Thin Films Laboratory (LASICOM), Department of Physics, Faculty of Science, University Saad Dahleb Blida 1, Algeria, held on 26–28 September 2021. The Conference had a variety of Plenary Lectures, Oral sessions, and E-Poster Presentations. Conference Title: 1st International Conference on Computational & Applied PhysicsConference Acronym: ICCAP’2021Conference Date: 26–28 September 2021Conference Location: Online (Virtual Conference)Conference Organizer: Surfaces, Interfaces, and Thin Films Laboratory (LASICOM), Department of Physics, Faculty of Science, University Saad Dahleb Blida 1, Algeria