Inorganic and organic – inorganic (hybrid) perovskite semiconductor materials have attracted the worldwide scientific attention and research effort as the new wonder material in optoelectronics. Their excellent physical and electronic properties have been exploited to boost the solar cells efficiency beyond 23% and captivate their potential as competitors to the dominant silicon solar cells technology. However, the fundamental principles in Physics dictate that an excellent material for photovoltaic applications must be also an excellent light emitter. This has been realized for the case of perovskite based light emitting diodes (LEDs) but much less for the case of the respective laser devices. Here, the strides have been made since 2014 are presented for the first time. The solution processability, low temperature crystallization, formation of nearly defect free, nanostructures, the long range ambipolar transport, the direct energy band gap, the high spectral emission tunability over the entire visible spectrum and the almost 100% external luminescence efficiency show perovskite semiconductors’ potential to transform the nanophotonics sector. The operational principles, the various adopted material and laser configurations along the future challenges are reviewed and presented in this paper.

Heterojunctions based on metal halide perovskites (MHPs) are promising systems for photocatalytic hydrogen evolution reaction (HER). In this work, we coupled Cs3Bi2Br9 nanocrystals (NCs), obtained by wet ball milling synthesis, with g-C3N4 nanosheets (NSs) produced by thermal oxidation of bulk g-C3N4 in air. These methods are reproducible, inexpensive, and easy to scale up. Heterojunctions with different loadings of Cs3Bi2Br9 NCs were fully characterized and tested for HER. A relevant improvement of H2 production with respect to pristine carbon nitride was achieved at low NCs levels reaching values up to about 4600 µmol g-1 h-1. This work aims to provide insights on the synthesis of inexpensive and high performing heterojunctions using MHP for photocatalytic applications.

For decades SrTiO3 is in the focus of research with seemingly never-ending new insights regarding its ground state properties, its application potentials, its surface and interface properties, the superconducting state, the twin boundaries and domain functionalities, etc. Here, we focus on the already well-investigated lattice dynamics of STO and show that four different temperature regimes can be identified which dominate the elastic properties, the thermal conductivity and the birefringence. These regimes are the low-temperature quantum fluctuation dominated one, followed by an intermediate regime, the region of the structural phase transition at ~105 K and its vicinity, and at high temperatures a regime characterized by precursor and saturation effects. They can all be elucidated by lattice dynamical aspects. The relevant temperature dependences of the soft modes are discussed and their relationship to lattice polarizability is emphasized.

Metal halide perovskites (MHPs), in particular lead-based halide perovskites have earned a recognized fame in several fields for their outstanding optoelectronics properties including direct generation of free charge carriers, optimal ambipolar charge carrier transport properties, high absorption coefficient, point-defect tolerance, and compositional versatility. Nowadays, this class of materials represents a real and promising alternative of silica for the photovoltaic technologies. This worthy success led to a growing interest in the exploration of MHP materials in other hot research fields such as the solar-driven photocatalytic water splitting towards hydrogen production, CO2 reduction to CO and CH4, useful organic reactions such as organic synthesis (formation of C-C, C-N, and C-O bonds), and pollutants and dye degradation. Nevertheless, many of these perovskite materials showed air and moisture instability problems that considerably hinder their practical application for photocatalytic water splitting and photodegradation of CO2. Moreover, if the chemical instability is a problem that can be in part mitigated by the optimization of the lattice structure, the presence of lead represents a real problem for the practical application of these type of materials in commercial devices. To successfully overcome this problem, lead-free metal halide perovskites (LFMHPs) have gained increasing interest thanks to their promising optoelectronic properties, comparable to lead-based materials, and their eco-friendly nature. Among all the lead-free perovskite alternatives, this mini review will focus the attention on the bismuth-based perovskites and perovskite derivatives with specific focus on solar-driven photocatalysis application for H2 evolution.

Nanocrystalline La_1-xNd_xFeO₃ powders with different concentrations of Nd³⁺ have been synthesized by modified Pechini method. Their structure was studied by X-ray powder diffraction (XRD). Further, La_1-xNd_xFeO₃ nanoceramics were prepared by high pressure sintering technique. The luminescence spectra of the powders were investigated as a function of concentration of active dopant to check the possible energy transfers observed due to Nd³⁺ concentration changes. The electrical and magnetic properties of the powders and ceramics were investigated to determine the effect of Nd³⁺ doping on the dielectric permittivity and magnetization in the wide frequency range.

Density Functional Theory (DFT) full potential linearized augmented plane wave (FP-LAPW) method with the Modified Becke-Johnson (mBJ) approximation is used to perform spin polarised calculations of the transition metal perovskites MoScO₃ and WScO₃. Both depict half metallic behaviour with semiconducting and metallic in the minority and majority spins respectively. MoScO₃ and WScO₃ have indirect R− Γ band gaps in the minority spin channels of 3.61 and 3.82eV respectively. Moreover, they both show substantial magnetic moments of 2.99μ_B. In addition, we calculate the dielectric function, optical conductivity and the optical constants, namely, the refractive index, the reflectivity, the extinction and absorption coefficients.

We measured the anelastic, dielectric and structural properties of the metal-free molecular perovskite (ABX$_{3}$) (MDABCO)(NH$_{4}$)I$_{3}$, which has already been demonstrated to become ferroelectric below $T_{\text{C}}=$ 448~K. Both the dielectric permittivity measured in air on discs pressed from powder and the complex Young's modulus measured on resonating bars in vacuum show that the material starts deteriorating with loss of mass just above $T_{\text{C}}$, introducing defects and markedly lowering $T_{\text{C}}$. The elastic modulus softens of 50\% when heating through the initial $T_{\mathrm{C}}$, contrary to usual ferroelectrics, which are stiffer in the paraelectric phase. This suggests improper ferroelectricity, where the primary order parameter of the transition is not the electric polarization, but the orientational order of the MDABCO molecules. The degraded material presents thermally activated relaxation peaks in the elastic energy loss, whose intensities increase together with the decrease of ~$T_{\mathrm{C}}$. The peaks are much broader than pure Debye, due to the general loss of crystallinity, also apparent from X-ray diffraction, but their relaxation times have parameters typical of point defects. It is argued that the major defects should be of the Schottky type, mainly due to the loss of (MDABCO)$^{2+} $ and I$^{-}$, leaving charge neutrality, and possibly also (NH$_{4}$)$^{+}$ vacancies. The focus is on an anelastic relaxation process peaked around 200~K at $\sim 1$~kHz, whose relaxation time follows the Arrhenius law with $\tau $$_{0}$~$\sim $\ $10^{-13}$\ s and $E\simeq 0.4$~eV. This peak is attributed to I vacancies (V$_{\text{X}}$) hopping around MDABCO vacancies (V$_{\text{A}}$) and its intensity presents a peculiar dependence on temperature and content of defects. The phenomenology is thoroughly discussed in terms of lattice disorder introduced by defects and of partition of V$_{\text{X}}$ among sites that are far from and close to the cation vacancies. A method is proposed for calculating the relative concentrations of V$_{\text{X}}$, that are untrapped, paired with V$_{\text{A}}$ or forming V$_{\text{X}}$--V$_{\text{A}}$--V$_{\text{X}}$ complexes.

Perovskite Solar Cell (PSC) is a third-generation photovoltaic device known for its rapid improvement in efficiency levels over the past decade. Moreover, the added benefits of abundant sourcing of raw materials, uncomplicated fabrication process, organic and inorganic device materials, and tuneable bandgaps make this technology a sustainable energy alternative. However, the efficiency values of these devices are subjected to variation depending on factors such as material compatibility, environmental conditions, energy band alignment of device components and stability characteristics to extrinsic and intrinsic factors. One such vital intrinsic factor is film morphology, homogenous and superior film quality formation and pinhole and trap-free films. In this study, we have investigated the formation of perovskite films on a qualitative basis using metal chloride washing of salts such as Erbium, Antimony, Cadmium and Chromium Chloride. The study aims to analyse the difference in film formation with various metal chloride washing and how this could potentially impact or contribute to photovoltaic performance if the devices are fabricated.

The crystallization conditions from the solution play an important role in determining the mor-phology, phase composition, and photovoltaic properties of perovskite films. Post-processing of the obtained films can have a crucial role in increasing the grain size of perovskite and enhancing its crystallinity. It has been shown that the formation of crystal nuclei can be utilized to accelerate crystallization. In this case, crystallization occurs through the growth of seed crystals created in the solution, enabling the formation of relatively large crystals. For the deposition of CH3NH3PbI3 hybrid halide perovskite films from a solution of the perovskite in dimethylformamide the spin coating echnique was employed. Pre-crystallization was achieved by heating films at a temperature of 100 or 110 °C. The dissolution process involved adding a drop of dimethylformamide onto the substrate surface and allowing it to partially dis-solve the perovskite for 30-40 seconds. Subsequently, residual solvent was removed through spin coating. The recrystallization process was carried out by heating films at the temperature range of 80 to 130 °C. The morphological analysis of the perovskite film surfaces after recrystallization at tem-peratures ranging from 80 to 130 °C was performed. The infrared transmission spectra of the obtained perovskite films were investigated, and their light absorption characteristics were studied through transmission spectra. The perovskite structure in the obtained films was con-firmed by the peaks observed in the X-ray diffraction patterns.

Metal halide perovskites have shown excellent optoelectronic properties, including high photoluminescence quantum yield, tunable emission wavelength, narrow full-width at half-maximum and low-cost solution-processed fabrication, which make it exhibit great potential as the emission layer materials of light emitting diodes. With the joint efforts of researchers from different disciplines, there has been a significant progress in the improvement of external quantum efficiency (EQE) and stability of perovskite light emitting diodes (PeLEDs) in recent few years, especially in green PeLEDs with EQE over 30%. In this review, we firstly introduce the basic device structure of PeLEDs, as well as the factors influencing EQE and stability of PeLEDs. Secondly, the development of lead-based and lead-free PeLEDs are summarized systematically. Thirdly, challenges of PeLEDs are discussed in detail, including low EQE of blue PeLEDs, poor device stability and EQE roll-off. Finally, some suggestions and perspectives of the future research directions for PeLEDs are proposed.

Hybrid metal-organic compounds as relatively new and prosperous magnetoelectric multiferroics provide opportunities to improve the polarization, magnetization and magneto-electric coupling at the same time, which usually have some limitations in the common type-I and type-II multiferroics. In this work we investigate the crystal of guanidinium copper(II) formate [C(NH2)3]Cu(HCOO)3 and give novel insights concerning the structure, magnetic, electric and magneto-electric behaviour of this interesting material. Detailed analysis of crystal structure at 100 K is given. Magnetization points to the copper(II)-formate spin-chain phase that becomes ordered below 4.6 K into the canted antiferromagnetic (AFM) state, as a result of super-exchange interaction over different formate bridges. The performed ab-initio colinear density functional theory (DFT) calculation confirm the AFM-like ground state as a first approximation and explain the coupling of spin-chains into the AFM ordered lattice. In versatile measurements of magnetization of a crystal, including transverse component besides the longitudinal one, very large anisotropy is found that might originate from canting of the coordination octahedra around copper(II) in cooperation with the canted AFM order. With cooling down in zero fields the generation of spontaneous polarization is observed step-wise below 270 K and 210 K and the effect of magnetic field on its value is observed also in the paramagnetic phase. Measured polarization is somewhat smaller than the DFT value in the c-direction, possibly due to twin domains present in the crystal. The considerable magneto-electric coupling below the magnetic transition temperature is measured with different orientations of the crystal in magnetic field, giving altogether the new light onto the magneto-electric effect in this material.

Anion exchange of the halides, Br and I, is demonstrated through the direct mixing of two pure perovskite quantum dot solutions, CsPbBr3 and CsPbI3, and is shown to be both facile and result in a completely alloyed single phase mixed halide perovskite. Anion exchange is also observed in an interlayer printing method utilizing the pure, unalloyed perovskite solutions and a commercial inkjet printer. The halide exchange was confirmed by optical absorption spectroscopy, photoluminescent spectroscopy, X-ray diffraction, and X-ray photoemission spectroscopy characterization, and indicates that alloying is thermodynamically favorable, while the formation of a clustered alloy is not favored. Additionally, a surface-to-bulk photoemission core level transition is observed for the Cs 4d photoemission feature which indicates the electronic structure of the surface is different from the bulk. Time resolved photoluminescence spectroscopy indicates the presence of multiple excitonic decay features which is argued to originate from states residing at surface and bulk environments.

A La2FeCrO6 (LFCO) double perovskite powders were synthesized by hydrothermal method, which crystallized in an orthorhombic (Pnma) structure and exhibited a spherical morphology with average particle size of 900 nm. Fourier transformation infrared spectroscopy confirmed the octahedral coordination of Fe and Cr ions in the powders. XPS spectra revealed dual oxide states of Fe (Fe2+/Fe3+) and Cr (Cr3+/Cr4+) elements, and oxygen element appeared as lattice oxygen and defect oxygen, respectively. The LFCO powders exhibit ferromagnetic behavior at 5 K with saturation magnetization of 0.31 μB/f.u., coercive field of 8.0 kOe, and Curie temperature of 200 K. Griffiths phase appeared in the powders between 200 K and 223 K. The LFCO ceramics displayed a butterfly-like magnetoresistance (MR)-magnetic field (H) curve at 5 K with MR (5 K, 6 T) value of -4.07%. Temperature dependence of resistivity of the LFCO ceramics demonstrated their semiconducting nature. Electrical transport data were fitted by different conduction models. Strong frequency dispersion dielectric behavior was observed in the LFCO ceramics. A dielectric abnormality observed around 260 K, was ascribed to the jumping of electrons trapped in shallow levels created by oxygen vacancies. The dielectric relaxation behavior exhibited by dielectric loss between 160 K and 260 K, was contributed to the singly-ionized oxygen vacancies.

Layered halide perovskites have emerged as a promising contender in solid-state lighting thanks to their tunable bandgap, high luminescence quantum yield, and high color purity. However, the fabrication of perovskite light-emitting devices in laboratories usually experiences low de-vice-to-device reproducibility since perovskite crystallization is highly sensitive to ambient condi-tions, such as humidity and temperature. Although device processing inside gloveboxes is primarily used to reduce the influence of oxygen and moisture, several extraneous variables, including gas-eous pollution traces and thermal fluctuations in the inert atmosphere or contaminations from re-sidual solvents confined in the enclosed environment, can destabilize the crystallization process and alter the properties of the emissive layers. Here, we examine different experimental set-ups for spin-coating deposition of layered perovskites in inert atmospheres and their influences on the formation of polycrystalline thin films. Our results demonstrate that fluctuations in the glovebox properties (concentrations of residual O2 and H2O or solvent traces), even in very short timescales, can negatively impact the consistency of the perovskite film formation, while thermal variation plays a relatively minor role in this phenomenon. Furthermore, careful storage of chemical species inside the workstation is critical for reproducing high-quality perovskite layers. Consequently, when applying our most controlled environment for perovskite deposition, the photoluminescence life-time of perovskite thin films shows a standard deviation of only 3%, whereas the reference set-up yields a 15% standard deviation. Regarding complete perovskite light-emitting diodes, the uncer-tainties in statistical luminance and EQE data are significantly reduced from 230% and 140% to 38% and 42%, respectively.

Lead-free ferroelectric perovskite N-methyl-N'-diazabicyclo[2.2.2]octonium)–ammonium triio-dide, MDABCO-NH₄I₃, nanocrystals are embedded in three different polymer fibers fabricated by the electrospinning technique. The nanofibers, which are very flexible and have a high Young modulus, behave as active piezoelectric energy harvesting sources that produce a piezoelectric voltage coefficient up to geff = 3.6 VmN-1 and show a blue intense luminescence band at 325 nm. In this work, the pyroelectric coefficient is reported for the MDABCO-NH₄I₃ perovskite inserted in electrospun fibers. At the ferroelectric-paraelectric phase transition, the embedded nanocrystals display a pyroelectric coefficient as high as 194×10-6 Cm-2k-1, within the same order of magnitude as that reported for the state-of-the-art bulk ferroelectric triglycine sulfate (TGS). The perovskite nanocrystals embedded into the polymer fibers remain stable, and no degradation is caused by oxidation.

The work carried out first-principles calculations within the framework of density functional theory to study the structural stability of the CsSnI₃ compound and the influence of phase transitions on their electronic and optical properties. Using the GGA and SCAN functionals, the relaxed structures of the CsSnI₃ phases were obtained and their geometric characteristics were assessed. Using the Phonopy code based on VASP, calculations of phonon and thermodynamic properties were performed, and the temperatures of phase transitions of CsSnI₃ were determined. The temperature dependences of the thermodynamic parameters α-, β-, γ- and δ-phases of CsSnI₃ were analyzed. The trends in free energy, entropy, enthalpy, heat of formation energy and heat capacity were justified in terms of the pattern of changes in the total energy of the four phases of CsSnI₃ from VASP calculations. It is shown that at 0 K the non-perovskite structure of the CsSnI₃ compound (δ-CsSnI₃) is the most stable (followed by γ-CsSnI₃), and the tetragonal phase (β) is quite unstable, having the highest energy among the perovskite phases. It was revealed that at temperatures above 450 K the tetragonal phase becomes stable, and when the temperature drops, it transforms into the cubic phase (α-CsSnI₃). The phase transition between the β and γ phase of perovskite occurs in the range of 300-320 K, and at 320 K a black-yellow transformation of CsSnI₃ occurs in which the cubic phase (black perovskite) undergoes a phase transition to a non-perovskite conformation (yellow phase). The presence of temperature phase transitions between two orthorhombic phases of CsSnI₃ at 360 K was discovered, although direct transitions of the α⟷γ and γ⟷δ types have not yet been reported in any experiment, except for γ→δ transitions under the influence of moisture. Based on well-relaxed structures (from the SCAN calculations), the band gap widths for four CsSnI₃ phases were calculated and compared with experimental measurements. Electronic properties and Fermi level shifts as a result of phase transformations of CsSnI₃ were assessed using the HSE06 functional and machine learning prediction. The values of the complex dielectric constant and the refractive index of all phases of the CsSnI₃ were determined.