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Hybrid lead halide perovskites have been considered as promising candidates for a large variety of optoelectronic applications. By exploring novel combinations of lead-free double perovskite halides, it is possible to find a suitable replacement for poisonous lead halide perovskites, enhancing electronic and optical response for their application as optically-influenced resistive switching random access memory (RRAM). In this work, the structural, mechanical, elastic, electronic, optical, and thermoelectric characteristics of lead-free double halide perovskites were investigated by Vienna ab initio simulation package (VASP) to explore their role in RRAM. From the analysis of mechanical constraints, it is clear that all three composites of Cs 2 CaSnX 6 (X = Cl, Br, I) are mechanically stable and ductile in nature. The electronic bandgap with and without spin-orbit coupling (SOC), and total and sub-total density of states (TDOS, sub-TDOS) have been calculated using the Perdew-Burke-Ernzerhof generalized gradient approximation (PBE-GGA) potentials. The observed direct band gaps of 3.58 eV, 3.09 eV, and 2.60 eV for Cs 2 CaSnCl 6 , Cs 2 CaSnBr 6 , and Cs 2 CaSnI 6 , respectively, reveal the suitability of these specified composites as resistive switching material for RRAM devices. Additionally, the optical characteristics, such as complex refractive index, absorption coefficient, and reflectivity of the compounds under consideration have been calculated under the action of incident photons of 0 to 14 eV energy. The thermoelectric properties of Cs 2 CaSnX 6 (X = Cl, Br, I) double perovskite halide were computed and analyzed with the help of the BoltzTraP Code., Competing Interests: The authors declare that there are no conflicts of interest., (This journal is © The Royal Society of Chemistry.)

Atomic Layer Deposition (ALD) was used for a tri-layer structure (HfO 2 /Al 2 O 3 /HfO 2 ) at low temperature over an Indium Tin Oxide (ITO) transparent electrode. First, the microstructure of the fabricated TaN/HfO 2 /Al 2 O 3 /HfO 2 /ITO RRAM device was examined by the cross-sectional High-Resolution Transmission Electron Microscopy (HRTEM). Then, Energy Dispersive X-ray Spectroscopy (EDS) was performed to probe compositional mapping. The bipolar resistive switching mode of the device was confirmed through SET/RESET characteristic plots for 100 cycles as a function of applied biasing voltage. An endurance test was performed for 100 DC switching cycles @0.2 V wherein; data retention was found up to 10 4 s. Moreover, for better insight into the charge conduction mechanism in tri-layer HfO 2 /Al 2 O 3 /HfO 2 , based on oxygen vacancies (V OX ), total density of states (TDOS), partial density of states (PDOS) and isosurface three-dimensional charge density analysis was performed using WEIN2k and VASP simulation packages under Perdew-Burke-Ernzerhof _Generalized Gradient approximation (PBE-GGA). The experimental and theoretical outcomes can help in finding proper stacking of the active resistive switching (RS) layer for resistive random-access memory (RRAM) applications., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

The structural, electronic and thermoelectric properties of AZr 1-x M x O 3 (A = Ba, Ca, Sr; M = Al, Cu, x = 0.25) without and with an oxygen vacancy (Vo) have been unveiled using the Perdew-Burke-Ernzerhof Generalized Gradient Approximation (PBE-GGA) functional along with Tran-Blaha modified Becke-Jonhson (TB-mBJ)approximation based on Density Functional Theory (DFT) in the framework of WIEN2k code for memristors applications. Moreover, isosurface charge density plots have been calculated by using Vienna ab initio Simulation Package (VASP) simulation code. The analysis of structural parameters reveals that substituting Zr 4+ with Al 3+ and Cu 2+ causes the lattice distortion which tends to increase in the presence of Vo along with dopant. The study of band structure, density of states (DOS) and isosurface charge density plots predict the enhanced charge conduction and formation of conducting filaments (CFs) for all composites with dopant and/or Vo. Moreover, spin polarized density of states for Cu doped composites has also been calculated to confirm the large exchange splitting of Cu-3d states. The thermoelectric characteristics of considered composites have also been explored using the Boltztrap code to better explain the semi-classical Boltzmann transport theory. Thermoelectric parameters confirm the semiconductor nature of all composites, ensuring the compatibility for memristors and thermoelectric devices applications. In addition to this spin polarized thermoelectric behavior of Cu doped composites that ensure the contribution of spin down (↓) states of Cu for charge transport mechanism. The SrZrCuO 3 +Vo composite is found most promising candidate followed by BaZrCuO 3 for memristors applications while, CaZrCuO 3 is found most suitable amongst studied composites for thermoelectric devices., Competing Interests: Declaration of competing interest No conflict of interest., (Copyright © 2020 Elsevier Inc. All rights reserved.)