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This study employs a first-principles approach to comprehensively examine the structural, electronic, optical, and magnetic properties of the thermodynamically stable scintillating double perovskite halides A 2 N a T a X 6 ( A = C s , R b ; X = C l , B r , I ). The dynamic stability of these materials were explained based on deduced phonon properties. Our analysis reveals that these compounds exhibit intriguing electronic behavior with spin polarization, demonstrating half-metallicity. In spin-up, the band gap is found to be zero, while in spin-down, it falls within the range of 3 to 4 eV with the incorporation of DFT+U corrections. Notably, the optical properties assessment highlights the exceptional UV and high-energy absorption capabilities of A 2 N a T a I 6 , making it a promising candidate for scintillation applications in particle detection. This research sheds light on the unique and versatile properties of these materials, with implications for various technological and scientific applications. [ABSTRACT FROM AUTHOR]

This research work investigates the structural, electronic, optical, and thermoelectric characteristics of VFeZ (Z = N and P) half‐Heusler compounds. The study employs the full‐potential linearized augmented plane wave (FP‐LAPW) method integrated into the WIEN2K algorithm, serving as the underpinning framework for density functional theory (DFT) analysis. In the study, we use the PBE generalized gradient approximation (PBE‐GGA) to identify numerous parameters associated with structural and elastic properties. Lattice parameter results are in agreement with previous outcomes. Moreover, computed elastic parameters satisfy the criterion for stability. In the cubic structure VFeZ (Z = N and P) is ductile, to enhance the computations of electronic characteristics, Tran and Blaha's modified Becke‐Johnson potential (TB‐mBJ) is used. Our simulations demonstrate that the materials exhibit semiconductor behavior, with a direct band gap for VFeZ (Z = N and P). Strong UV absorption is found via optical experiments suggest compounds are suitable for optical application. Furthermore, study of the thermoelectric properties suggests its application in the thermoelectric generators. [ABSTRACT FROM AUTHOR]

The two-body leptonic decays of both light and heavy-charged mesons X l 2 ± are investigated in the first Born approximation in the presence of a monochromatic and circularly polarized laser field. As a result of using Volkov functions, the analytic study of these processes has brought a change in the parameters associated with each decay process. The decay width, lifetime, and branching ratio of each decay process are affected by increasing the classical parameter ξ of the meson. A comparison between the matter decay X l 2 + and that of the anti-matter X l 2 - in the presence of a circularly polarized laser wave, indicates that increasing laser field strength (increasing the classical parameter ξ ) can induce a slight dominance of matter over antimatter or vise versa. [ABSTRACT FROM AUTHOR]

The Full Potential Linearised Augmented Plane Wave method (FP-LAPW) is used to design the structural, elastic-mechanical, electronic, magnetic, and thermoelectric prop-erties of new cubic double perovskite oxides X 2 C e V O 6 (X = S r , B a) . The tolerance factor and elastic parameters show and ensure the stability and formation of both perovskites in the cubic phase. Additionally, the predicted mechanical constants show that X 2 C e V O 6 (X = S r , B a) behave as stable ductile materials. Then, spin-polarized calculations show ferromagnetic and half-metallic behavior for both compounds with a total magnetic moment equal to 1 μ β . Thermoelectric parameters of both materials show high power factor and n-type conductivity, due to the multiple oxidation states of Vanadium. Therefore, these results show that the proposed perovskites X 2 C e V O 6 (X = S r , B a) can be promising materials for spintronic and thermoelectric applications. [ABSTRACT FROM AUTHOR]

In a previous paper, we showed theoretically that the total cross-section of the top-quark pair production by electron–positron annihilation is strongly reduced by the presence of a circularly polarized laser field. In this paper, we present the result for the case of a linearly polarized laser field. This time, the total cross-section is significantly enhanced by the laser field. [ABSTRACT FROM AUTHOR]

Owing to their proper characteristic, simple halide perovskites became engaged over time for thermoelectric applications. In this work, several physical properties of simple halide perovskite materials AInBr 3 (A = K, Rb) are predicted based on density functional theory (DFT) within the Wien2k code. The tolerance factor and negative formation energy demonstrate the stability and formation of these compounds, and the Born criteria shows their mechanical stability and inherent ductility. Notably, the modified Becke-Johnson potential (mBJ) was used to calculate the optoelectronic characteristics. The AInBr 3 (A = K, Rb) perovskites present semiconducting aspects. Analyses of their optical characteristics, including refractive index, reflectivity, were performed. AInBr 3 (A = K, Rb) transport properties were studied. The highest figure of merit was attained by AInBr 3 (A = K, Rb) which had a high Seebeck coefficient and high electrical conductivity. Finally, all studied properties of simple halide perovskites give a new way for efficient applications in thermoelectric. • The structural, electrical, optical, and thermoelectric properties of cubic perovskite AInBr 3 (A = Rb, K) are demonstrated. • The compounds are suitable for optoelectronic applications since their maximal absorption occurs in the visible spectrum. • The high-power factor and figure of merit of AInBr 3 (A = Rb, K) indicate that the examined compounds are appropriate for thermoelectric applications. [ABSTRACT FROM AUTHOR]