Assessing the viability of hydrogen-based perovskites for optoelectronic and thermoelectric applications via first principle modeling.

Context: In this study, we delve into the physical characteristics of six hydride perovskites of ABH-type materials (CsCaH, CsSrH, KMgH, LiBaH, NaBeH, and RbCaH). Our investigation primarily focuses on assessing their structural stability by determining the enthalpy of formation and examining the dispersion of phonons. Using band structure calculations, we discern the characteristics of semiconductors, observing a direct bandgap in all four perovskites except NaBeH and KMgH, which exhibit indirect gaps.

Studying the effect of polymethyl methacrylate polymer opticals fibers (POFs) on the performance of composite materials based on the polyether ether ketone (PEEK) polymer matrix.

More recently, various techniques have been implemented for the sensors manufacturing purpose, such as fiber Bragg gratings fibers (FBG) that allows variable core refractive index suitable for a large scale of measurements types, fiber optic evanescent waves (FOEW) for water parameters measurement, microstructured and crystal photonic optical fibers, polymers optical fiber (POFs), and so on. In this perspective, the objective of this work is to study the reliability and the origin of the resistance of each fiber-matrix interface of the composite materials PMMA/PEEK, Topas/PEEK, and Topas-Zeonex/PEEK. The genetic simulation is based on the probabilistic approach of Weibull to calculate the damage at the interface by crossing the two damages of the matrix and the fiber respectively.

Recent Insights Into Electronic Performance, Magnetism and Exchange Splittings in the Cr-substituted CaO.

The first-principles computations of density functional theory are employed to characterize the structural properties, electronic structures, and ferromagnetism induced by Cr impurities in CaCrO compounds at concentrations = 0. 25, 0.5, and 0.