A carrier transport model in the high-resistance state of lead-methylamine iodide-based resistive memory devices

Methylamine lead iodide (CH3NH3PbI3), which has recently been in the spotlight as a solar cell material, has also recently shown promise for use as an active material in resistive memory cells with ultralow operation voltages, good transparencies, and flexibilities. The material’s defects, which govern its properties, differ vastly depending on the fabrication process. However, the defect chemistry is not yet entirely understood. We have therefore established a macroscopic transport model with defect-related model parameters, such as trap density, trap energy level, and Fermi level, in order to estimate these parameters for fabricated samples based on their electrical data. Our model will serve as an efficient way to analyze the properties of the active material

Cs₂NaGdCl₆:Tb³⁺A Highly Luminescent Rare-Earth Double Perovskite Scintillator for Low-Dose X‑ray Detection and Imaging

Rare-earth-based double perovskite (DP) X-ray scintillators have gained significant importance with low detection limits in medical imaging and radiation detection owing to their high light yield (LY) and remarkable spatial resolution. Herein, we report the synthesis of 3D double perovskite (DP) crystals, namely, Cs2NaGdCl6 and Tb3+-Cs2NaGdCl6 using hydrothermal reaction. Cs2NaGdCl6 DP single crystals exhibited a blue self-trapped exciton (STE) emission at 470 nm under ultraviolet (265 nm) excitation with a photoluminescence quantum yield (PLQY) of 8.4%. Introducing Tb3+ ions into Cs2NaGdCl6 has resulted in quenching of STE emission and enhancing green emission at 549 nm attributed to the 5D4 → 7F5 transition of Tb3+, suggesting efficient energy transfer (ET) from STE to Tb3+. This ET process is evidenced by the appearance of Tb3+ bands in the excitation spectra of the host, the shortening of the STE lifetimes in the presence of Tb3+ ions, and the enhancement of PLQY (72.6%). Furthermore, Cs2NaGdCl6:5%Tb3+ films of various thicknesses (0.1–0.6 mm) were synthesized and their X-ray scintillating performance has been examined. The Cs2NaGdCl6:5%Tb3+ film with 0.4 mm thickness has exhibited an excellent linear response to the X-ray dose rate with a low detection limit of 41.32 nGyair s–1, an LY of 39,100 photons MeV–1, and excellent radiation stability. Benefiting from the strong X-ray excited luminescence (XEL) of Cs2NaGdCl6:5%Tb3+, we developed a Cs2NaGdCl6:5%Tb3+ X-ray scintillator screen with a least thickness (0.1 mm), exhibiting remarkable imaging ability with a spatial resolution of 10.75 lp mm–1. These results suggest that Cs2NaGdCl6:Tb3+ can be a potential candidate for low-dose and X-ray imaging applications

A phase field model combined with genetic algorithm for polycrystalline hafnium zirconium oxide ferroelectrics

Ferroelectric hafnium zirconium oxide (HZO) thin films show significant promise for applications in ferroelectric random-access memory, ferroelectric field-effect transistors, and ferroelectric tunneling junctions. However, there are shortcomings in understanding ferroelectric switching, which is crucial in the operation of these devices. Here a computational model based on phase field method is developed to simulate the switching behavior of polycrystalline HZO thin films. Furthermore, we introduce a novel approach to optimize the effective Landau coefficients describing the free energy of HZO by combining the phase field model with a genetic algorithm. We validate the model by accurately simulating switching curves for HZO thin films with different ferroelectric phase fractions. The simulated domain dynamics during switching also shows amazing similarity to the available experimental observations. The present work also provides fundamental insights into enhancing the ferroelectricity in HZO thin films by controlling grain morphology and crystalline texture. It can potentially be extended to improve the ferroelectric properties of other hafnia based thin films.Comment: Supplementary information is available with the main manuscrip

Plausible carrier transport model in organic-inorganic hybrid perovskite resistive memory devices

We demonstrate thermally assisted hopping (TAH) as an appropriate carrier transport model for CH3NH3PbI3 resistive memories. Organic semiconductors, including organic-inorganic hybrid perovskites, have been previously speculated to follow the space-charge-limited conduction (SCLC) model. However, the SCLC model cannot reproduce the temperature dependence of experimental current-voltage curves. Instead, the TAH model with temperature-dependent trap densities and a constant trap level are demonstrated to well reproduce the experimental results

A kinetic Monte Carlo simulation method of van der Waals epitaxy for atomistic nucleation-growth processes of transition metal dichalcogenides.

Controlled growth of crystalline solids is critical for device applications, and atomistic modeling methods have been developed for bulk crystalline solids. Kinetic Monte Carlo (KMC) simulation method provides detailed atomic scale processes during a solid growth over realistic time scales, but its application to the growth modeling of van der Waals (vdW) heterostructures has not yet been developed. Specifically, the growth of single-layered transition metal dichalcogenides (TMDs) is currently facing tremendous challenges, and a detailed understanding based on KMC simulations would provide critical guidance to enable controlled growth of vdW heterostructures. In this work, a KMC simulation method is developed for the growth modeling on the vdW epitaxy of TMDs. The KMC method has introduced full material parameters for TMDs in bottom-up synthesis: metal and chalcogen adsorption/desorption/diffusion on substrate and grown TMD surface, TMD stacking sequence, chalcogen/metal ratio, flake edge diffusion and vacancy diffusion. The KMC processes result in multiple kinetic behaviors associated with various growth behaviors observed in experiments. Different phenomena observed during vdW epitaxy process are analysed in terms of complex competitions among multiple kinetic processes. The KMC method is used in the investigation and prediction of growth mechanisms, which provide qualitative suggestions to guide experimental study

Effect of Material and Process Variables on Characteristics of Nitridation-Induced Self-Formed Aluminum Matrix Composites—Part 1: Effect of Reinforcement Volume Fraction, Size, and Processing Temperatures

This paper investigates the effect of the size and volume fraction of SiC, along with that of the processing temperature, upon the nitridation behavior of aluminum powder during the nitridation-induced self-formed aluminum composite (NISFAC) process. In this new composite manufacturing process, aluminum powder and ceramic reinforcement mixtures are heated in nitrogen gas, thus allowing the exothermic nitridation reaction to partially melt the aluminum powder in order to assist the composite densification and improve the wetting between the aluminum and the ceramic. The formation of a sufficient amount of molten aluminum is key to producing sound, pore-free aluminum matrix composites (AMCs); hence, the degree of nitridation is a key factor. It was demonstrated that the degree of nitridation increases with decreasing SiC particle size and increasing SiC volume fraction, thus suggesting that the SiC surface may act as an effective pathway for nitrogen gas diffusion. Furthermore, it was found that effective nitridation occurs only at an optimal processing temperature. When the degree of nitridation is insufficient, molten Al is unable to fill the voids in the powder bed, leading to the formation of low-quality composites with high porosities. However, excessive nitridation is found to rapidly consume the nitrogen gas, leading to a rapid drop in the pressure in the crucible and exposing the remaining aluminum powder in the upper part of the powder bed. The nitridation behavior is not affected by these variables acting independently; therefore, a systematic study is needed in order to examine the concerted effect of these variables so as to determine the optimal conditions to produce AMCs with desirable properties for target applications

Analysis of transformation plasticity in steel using a finite element method coupled with a phase field model.

An implicit finite element model was developed to analyze the deformation behavior of low carbon steel during phase transformation. The finite element model was coupled hierarchically with a phase field model that could simulate the kinetics and micro-structural evolution during the austenite-to-ferrite transformation of low carbon steel. Thermo-elastic-plastic constitutive equations for each phase were adopted to confirm the transformation plasticity due to the weaker phase yielding that was proposed by Greenwood and Johnson. From the simulations under various possible plastic properties of each phase, a more quantitative understanding of the origin of transformation plasticity was attempted by a comparison with the experimental observation