Résumé: Recent advancements in thin-film growth techniques have opened doors for engineering innovative heterostructures with ultra-thin layers. These artificial superlattices hold promise for novel optoelectronic devices. However, a complete understanding of their properties is crucial for optimal design. In this study, we employ the full-potential linearized augmented plane wave approach based on density functional theory to engineer the optoelectronic properties of superlattices by controlling the number of layers (n) in SLs; The exchange-correlation potential was calculated by the generalized gradient approximation and the optoelectronics properties has adjusted by the Tran-Blaha modified Becke-Johnson correction of approximation. Our findings shed light on the significant influence of stacking periodicity on the optoelectronic properties of HgTe/ZnTe SLs. We demonstrate that manipulating layer count is a viable strategy for engineering their optoelectronic characteristics. Additionally, the predicted near-infrared absorption makes these SLs promising candidates for near-infrared detector applications.

Résumé: We explored the pressure-induced structural phase transitions and elastic properties of AuMTe2 (M = Ga, In) using the full-potential linearized augmented plane wave method within the framework of density functional theory, applying both generalized gradient and local density approximations. Thermodynamic properties were further assessed through the quasi-harmonic model. We determined the transition pressures for the phase shift from the chalcopyrite structure to the NaCl rock-salt phase in both AuGaTe2 and AuInTe2. Additionally, we calculated and analyzed mechanical properties, such as bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, elastic anisotropy, ductility versus brittleness, and hardness for the polycrystalline forms of AuMTe2 (M = Ga, In). The study also examined how temperature and pressure affect the Debye temperature, heat capacities, thermal expansion, entropy, bulk modulus, Gru¨ neisen parameter, and hardness, utilizing the quasiharmonic Debye model.

Résumé: This research explored the physical properties of AuMTe2 (M=Ga, In) chalcopyrite compound. We employ the full potential linearized augmented plane wave (FP-LAPW) method in combination with the Tran Blaha modified Becke-Johnson potential (TB-mBJ) as well as the generalized gradient approximation (GGA-PBE(96)), local density approximation (LDA) and Wu-Cohen generalized gradient approximation (WC-GGA) for the exchange-correlation potentials to analyze the structural, electronic and optical properties. Results are presented for lattice constant, bulk modulus, its pressure derivative, density of state (DOS) and optical properties. The structural and electronic outcomes obtained in this study align well with existing theoretical data. Our investigation revealed that the studied compounds exhiit a direct band gap, with average energy gaps of order of 0.281eV for AuGaTe2 and 0.092eV for AuInTe2 compounds, respectively. Optical properties, encompassing reflectivity R(w), absorption coefficient α(ω), refractive index n(ω), optical conductivity σ(ω), extinction coefficient k(ω), and energy loss function L(ω) are determined from real and imaginary parts of the calculated dielectric function within the frameworks of the modified Becke-Johnson plus PBE-GGA(96), LDA and WC-GGA exchange-correlation potentials. The computed optical properties reveal minimal energy loss and reflectivity, acceptable absorption capability and optical conductivity within the infrared and visible regions. These findings indicate potential applications in fields such as infrared absorption technologies and optoelectronic industries. This marks the initial quantitative theoretical forecast of the optical properties for these chalcopyrite compounds, necessitating experimental confirmation.

Résumé: We have investigated a First Principle Calculation of Electronic and Optical Properties of Rare Gas Solids Kr and Ar.

Résumé: We have made a Comparative study of energy of particles ejected from coulomb explosion of rare gas and metallic clusters irradiated by intense femtosecond laser field.

Résumé: We have studied the Coulomb explosion of Arn clusters irradiated by intense femtosecond laser fields.

Résumé: We have studied the Non uniqueness and equivalence of the q-deformed Weyl-Heisenberg algebra representations,

Résumé: We have investigated the intercation of intense femtosecond laser pulse with Kr clusters using landau damping.

Résumé: We have investigated the Interaction of intense femtosecond laser with metallic cluster of Pb.

Résumé: We have studied the interaction of intense feùtosecond laser with rare gas clusters.

Résumé: We have investigated the path integral and coherent states of a weak Weyl-Heisenberg algebra in the concept of the q-deformed theory.

Résumé: On a étudié l'énergies des particules émises après explosion coulombienne de l’agrégat métallique (Na) soumis à un champ laser femtosecond intense.

Résumé: On a fait une étude sur la représentations de l'Algèbre de Weyl-Heisenberg q-déformée et états cohérents q-déformés.

Résumé: On a étudié les états Cohérents dans le concept de la théorie de la q-déformation.

Résumé: On a étudié les intégrales de chemins dans le concept de la théorie de la q-déformation.

Résumé: We have studied the Nanoplasma formation from atomic clusters irradiated by intense femtosecond lasers.

Résumé: We investigate the structural, electronic and optical properties of AgGaTe2 chalcopyrite compound. The calculation were performed in the framework of density functional theory (DFT) using the Full-potential augmented plane wave (FP-LAPW) method within Tran-Blaha Becke-Johnson potential (TB-mBJ) plus local density approximation (LDA). We have found that our results have a good agreement with previous reported experimental and theoretical data