The use of electronic devices that incorporate multilayer ceramic capacitors (MLCCs) is on the rise, requiring materials with good electrical properties and a narrow band gap. This study synthesized yttrium-substituted barium titanate (Ba_1-x Y _x TiO₃, BYT) using a sol-gel process at 950 °C with varying concentrations of yttrium (0 ≤ x ≤ 0.3). X-ray diffraction analysis showed that the tetragonal phase became less pronounced as the yttrium content increased. The samples had varying grain sizes and porosity, with the BY30%T sample having the narrowest band gap at 2.21 eV. The BYT ceramic with 30% yttrium had a thermal conductivity of up to 7 W/m K and an electrical conductivity down to 0.002 (Ω cm)^-1 at 180 °C. The current-voltage characteristics of the BYT MLCC were also studied, showing potential use in next-generation high-capacity MLCCs. This work presents BYT as a promising material for these types of capacitors.

To study the structural, electronic, and optical properties of lead-free Barium titanate BaTiO₃ (BT) ferroelectric material in its tetragonal structure, a combination of experimental and theoretical studies has been used and the obtained results were discussed. The studied BT compound was prepared via the sol–gel technique. The calculated bandgap energy (E_g) and structural parameters of BT are determined using four types of exchange–correlation functionals (PBE, PBEsol, LDA, and PW91) in the perspective of the density functional theory (DFT). XRD and Raman analysis have shown that BT ceramic exhibits a tetragonal phase structure without any trace of impurity phases. The UV–vis investigation showed that BT has a bandgap energy of 3.19 eV, which is larger than the theoretically calculated values. The computed lattice parameter c is overestimated (as large as ~1% deviation) when using the LDA approximation. In contrast, PBEsol proved that those lattice constants were close to the experimental values (a deviation of less than 1%).

In this groundbreaking study, we unveil the remarkable structural, electronic, and optical Properties of the newly discovered double perovskite material, K₂AgBiI₆, presenting a paradigm shift in materials science. The unique crystal structure and diverse atomic interactions inherent in this double perovskite make it an up-and-coming candidate for various technological applications, particularly in photovoltaics; owing to its stability and resistance to heat and humidity, we aim to shed light on the extraordinary potential of K₂AgBiI₆. Our study provides valuable insights for researchers engaged in tailored material design. We anticipate that the exceptional electronic properties of K₂AgBiI₆will not only redefine the boundaries of materials engineering but also catalyze unprecedented advances in sustainable technology. Employing the powerful computational tool CASTEP, we conducted detailed electronic structure calculations within the framework of Density Functional Theory (DFT) to unravel the electronic properties of the double perovskite K₂AgBiI₆. Our investigation thoroughly explored structural properties, band structure, total density of states (DOS), and partial density of states (PDOS). Furthermore, we systematically examined the influence of different exchange-correlation functionals, including LDA, GGA, and m-GGA, on the electronic and optical features of the material by presenting a comparative analysis of these approximations.

Vanadium oxide (VO₂) is considered a Peierls–Mott insulator with a metal–insulator transition (MIT) at T_c = 68° C. The tuning of MIT parameters is a crucial point to use VO₂ within thermoelectric, electrochromic, or thermochromic applications. In this study, the effect of oxygen deficiencies, strain engineering, and metal tungsten doping are combined to tune the MIT with a low phase transition of 20 °C in the air without capsulation. Narrow hysteresis phase transition devices based on multilayer VO₂, WO₃, Mo_0.2W_0.8O_3, and/or MoO₃ oxide thin films deposited through a high vacuum sputtering are investigated. The deposited films are structurally, chemically, electrically, and optically characterized. Different conductivity behaviour was observed, with the highest value towards VO_1.75/WO_2.94 and the lowest VO_1.75 on FTO glass. VO_1.75/WO_2.94 showed a narrow hysteresis curve with a single-phase transition. Thanks to the role of oxygen vacancies, the MIT temperature decreased to 35 °C, while the lowest value (T_c = 20 °C) was reached with Mo_0.2W_0.8O₃/VO₂/MoO₃ structure. In this former sample, Mo_0.2W_0.8O₃ was used for the first time as an anti-reflective and anti-oxidative layer. The results showed that the MoO₃ bottom layer is more suitable than WO₃ to enhance the electrical properties of VO₂ thin films. This work is applied to fast phase transition devices.

Ultra-sensitive greenhouse gas sensors for CO₂, N₂O, and CH₄ gases based on Fano resonance modes have been observed through periodic and quasi-periodic phononic crystal structures. We introduced a novel composite based on metal/2D transition metal dichalcogenides (TMDs), namely; platinum/platinum disulfide (Pt/PtS₂) composite materials. Our gas sensors were built based on the periodic and quasi-periodic phononic crystal structures of simple Fibonacci (F(5)) and generalized Fibonacci (FC(7, 1)) quasi-periodic phononic crystal structures. The FC(7, 1) structure represented the highest sensitivity for CO₂, N₂O, and CH₄ gases compared to periodic and F(5) phononic crystal structures. Moreover, very sharp Fano resonance modes were observed for the first time in the investigated gas sensor structures, resulting in high Fano resonance frequency, novel sensitivity, quality factor, and figure of merit values for all gases. The FC(7, 1) quasi-periodic structure introduced the best layer sequences for ultra-sensitive phononic crystal greenhouse gas sensors. The highest sensitivity was introduced by FC(7, 1) quasiperiodic structure for the CH₄ with a value of 2.059 (GHz/m.s⁻¹). Further, the temperature effect on the position of Fano resonance modes introduced by FC(7, 1) quasi-periodic PhC gas sensor towards CH₄ gas has been introduced in detail. The results show the highest sensitivity at 70 °C with a value of 13.3 (GHz/°C). Moreover, the highest Q and FOM recorded towards CH₄ have values of 7809 and 78.1 (m.s⁻¹)⁻¹ respectively at 100 °C.