Applications In Electronic Devices Research Articles

Impact of the Lead‐Free Crystal Matrix 0.94NBaTiO3‐0.06SrTiO3 on the Photoluminescence Properties of Eu+3

The investigation reveals that the crystal field environment induces photoluminescence in Eu3+. These synthesized materials hold promise for a wide array of commercial applications, particularly in the light emitting diode industry, representing a significant advancement for the current generation of technology. The lead‐free electroceramics 0.94NB1−xEuxTiO3‐0.06SrTiO3 (x = 0 and x = 0.1) are fabricated using the conventional solid‐state reaction technique. Within these ceramics, both rhombohedral (R3c) and tetragonal (P4mm) structural phases coexist. The structural conformation and fluctuations in average grain size indicate the successful substitution of Eu3+ in 0.94NB1−xTiO3‐0.06SrTiO3 (x = 0). The incorporation of Eu3+ ions into the host matrix induces a long‐range ferroelectric state, marked by a rhombohedral (R3c) distortion, alongside enhanced tetragonal (P4mm) features. This structural modification results from the interaction between the Eu3+ ions and the host lattice, which fosters the emergence of a ferroelectric polarization. The coexistence of rhombohedral and tetragonal symmetries suggests a complex interplay of phases that collectively enhance the material's ferroelectric properties, potentially offering new avenues for applications in electronic and optical devices. Notably, compared to 0.94NB1−xEuxTiO3‐0.06SrTiO3 with (x = 0), the coercive field (Ec) significantly improves, while remanent polarization decreases in the presence of Eu3+. The domain orientation, particularly in Stage‐C, demonstrates a pronounced scaling behavior, which can be attributed to the crystal field surrounding the Eu3+ ions. This interaction influences the material's domain dynamics, enhancing its electromechanical properties. As a result, both of these lead‐free ceramics exhibit considerable potential for future electroceramic applications, offering a promising alternative in environmentally sustainable technologies.

Investigation of the effect of crystal size on the piezoelectric features of lead-free barium titanate ceramic using molecular dynamics simulation.

This study investigated the piezoelectric properties of BaTiO3 ceramics with different sizes through molecular dynamics simulations. The results show that all samples reached thermal equilibrium at 300K and equilibrium in potential energy within 10ns, confirming effective equilibration. As the size of the ceramics increased, the mean square displacement and diffusion coefficients decreased from 0.217 and 0.0034 to 0.1934 Å2 and 0.003 Å2/ns, attributed to a more uniform microstructure with fewer defects, resulting in reduced ion mobility. Furthermore, saturation polarization, residual polarization, and coercive field values increased from 0.35, 0.1, and 0.175 to 0.42 C/m2, 0.16 C/m2, and 0.282 MV/m, respectively, with increasing sample size, highlighting enhanced polarization responses due to a greater volume of ferroelectric material. Larger barium titanate (BaTiO3) crystals can have better polarization due to more domains aligning, but they may not deform as much (lower strain) because the walls among those domains can't move freely. While improved domain alignment contributed to higher polarization, the increased stress can restrict the mobility of the domain walls. These findings provided valuable insights into the size-dependent behavior of BaTiO3 ceramics, essential for optimizing their applications in electronic devices and sensors. The study underscored the importance of understanding microstructural effects on material properties for future advancements in ferroelectric technology.

Does the Traditional Band Picture Correctly Describe the Electronic Structure of n-Doped Conjugated Polymers? A TD-DFT and Natural Transition Orbital Study.

Doped conjugated polymers have a variety of potential applications in thermoelectric and other electronic devices, but the nature of their electronic structure is still not well understood. In this work, we use time-dependent density functional theory (TD-DFT) calculations along with natural transition orbital (NTO) analysis to understand electronic structures of both p-type (e.g., poly(3-hexylthiophene-2,5-diyl), P3HT) and n-type (e.g., poly{[N,N'-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5'-(2,2'-bithiophene)}, N2200) conjugated polymers that are both p-doped and n-doped. Of course, the electronic transitions of doped conjugated polymers are multiconfigurational in nature, but it is still useful to have a one-electron energy level diagram with which to interpret their spectroscopy and other electronic behaviors. Based on the NTOs associated with the TD-DFT transitions, we find that the "best" one-electron orbital-based energy level diagram for doped conjugated polymers such as P3HT is the so-called traditional band picture. We also find that the situation is more complicated for donor-acceptor-type polymers like N2200, where the use of different exchange-correlation functionals leads to different predicted optical transitions that have significantly less one-electron character. For some functionals, we still find that the "best" one-electron energy level diagram agrees with the traditional picture, but for others, there is no obvious route to reducing the multiconfigurational transitions to a one-electron energy level diagram. We also see that the presence of both electron-rich and electron-poor subunits on N2200 breaks the symmetry between n- and p-doping, because different types of polarons reside on different subunits leading to different degrees of charge delocalization. This effect is exaggerated by the presence of dopant counterions, which interact differently with n- and p-polarons. Despite these complications, we argue that the traditional band picture suffices if one wishes to employ a simple one-electron picture to explain the spectroscopy of n- and p-doped conjugated polymers.

Thickness-dependent structural and growth evolution in relation to dielectric relaxation behavior and correlated barrier hopping conduction mechanism in Ni0.5Co0.5Fe2O4 ferrite thin films.

Ferrite thin films are explored due to their promising properties, which are essential in various advanced electronic devices. However, depositing a film with pure phase and uniform microstructure is challenging. The Ni0.5Co0.5Fe2O4 ferrite thin films are deposited using pulsed laser deposition (PLD) technique to explore the effect of thickness on structural properties, growth evolution, temperature-dependent dielectric behavior, and conduction mechanisms. Microstructural analysis revealed that the films are uniformly grown, exhibiting surface roughness ranging from  2 to 4 nm. The dielectric response, adhering to a modified Debye model, exhibited multiple relaxation processes, with notable changes in the dielectric constant and loss as film thickness increased. Impedance spectra exhibited both space charge and dipolar relaxation phenomena, corroborated by Cole-Cole and electrical modulus plots. The analysis of the imaginary electric modulus using the Kohlrausch-Williams-Watts (KWW) function revealed non-Debye-type relaxation in all deposited films, characterized by thermally activated broad peaks. Conductivity decreased up to a certain film thickness, and the frequency exponent derived from Jonscher's power law suggested a correlated barrier hopping model for AC conduction. Activation energies improved with film thickness up to 125 nm, consistent with a constant energy barrier for polarons during relaxation and conduction phases. The film with 125 nm thickness exhibited the optimal dielectric properties, with the maximum dielectric constant, minimum dielectric loss, and highest activation energy. These findings highlight the potential of dense, uniformly grown films with high dielectric constants and low dielectric losses for advanced electronic device applications.

Regulating Optoelectronic and Thermoelectric Properties of Organic Semiconductors by Heavy Atom Effects.

Heavy atom effects can be used to enhance intermolecular interaction, regulate quinoidal resonance properties, increase bandwidths, and tune diradical characters, which have significant impacts on organic optoelectronic devices, such as organic field-effect transistors (OFETs), organic light-emitting diodes (OLEDs), organic photovoltaics (OPVs), etc. Meanwhile, the introduction of heavy atoms is shown to promote charge transfer, enhance air stability, and improve device performances in the field of organic thermoelectrics (OTEs). Thus, heavy atom effects are receiving more and more attention. However, regulating heavy atoms in organic semiconductors is still meeting great challenges. For example, heavy atoms will lead to solubility and stability issues (tellurium substitution) and lack of versatile design strategy and effective synthetic methods to be incorporated into organic semiconductors, which limit their application in electronic devices. Therefore, this work timely summarizes the unique functionalities of heavy atom effects, and up-to-date progress in organic electronics including OFETs, OPVs, OLEDs, and OTEs, while the structure-performance relationships between molecular designs and electronic devices are clearly elucidated. Furthermore, this review systematically analyzes the remaining challenges in regulating heavy atoms within organic semiconductors, and design strategies toward efficient and stable organic semiconductors by the introduction of novel heavy atoms regulation are proposed.

Molecular modeling analyses of functionalized cellulose.

Functionalization of cellulose with nanomaterials and functional groups is essential for enhancing its properties for specific applications, such as flexible sensors and printed electronics. This study employs Hartree Fock (HF) and Density Functional Theory (DFT) calculations to investigate the vibrational spectra of cellulose, identifying DFT: B3LYP/3-21g** as the optimal model aligning with experimental spectra. Using this model, we examined the impact of functionalizing cellulose with various groups (OH, NH2, COOH, CH3, CHO, CN, SH) and graphene oxide (GO) on its electronic properties. The results indicate that cellulose functionalized with GO (Cellulose-GO) has the lowest bandgap energy (0.1687eV), and improvements in reactivity, stability, and electronic properties were confirmed through Molecular Electrostatic Potential (MESP) and Total Dipole Moment (TDM) analyses. The spectrum of Density of States (DOS) for the cellulose functionalized with different groups shows several peaks, indicating various energy levels where electronic states are concentrated. The Projected Density of States (PDOS) analysis reveals how different functional groups affect the electronic structure of cellulose. Moreover, the (Cellulose-GO) composite was characterized using an Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectrometer, revealing interaction through the OH group of CH2OH, as indicated by a new band at 1710cm-1, consistent with theoretical predictions. Overall, this study demonstrates that functionalization with GO enhances cellulose's responsiveness, degradation, and electrical properties, making it suitable for applications in flexible electronic devices and protective barriers against corrosion.

Observation of planar Hall effect in the topological insulator NaCd4As3

The observation of the planar Hall effect (PHE) illuminates the spin textures and topological properties of materials, indicating potential applications in quantum computing and electronic devices. Here, we present a study on the planar Hall transport of topological insulator NaCd4As3 single crystals. When the magnetic field is rotated within the sample plane relative to the current direction, we observe remarkable planar Hall resistivity and giant planar anisotropic magnetoresistance (AMR), both consistent with the theoretical expression of the PHE. Further analysis reveals that the orbital magnetoresistance effect, unrelated to surface electrons from topological surface states or bulk electrons from nontrivial Berry phases, lays a dominant role in the PHE in NaCd4As3. Additionally, the AMR ratio reaches −43% at 3 K under 14 T and remains −9% at room temperature, markedly exceeding that of traditional ferromagnetic metals. These findings provide a platform for understanding the PHE mechanism in topological insulators and highlight the potential of NaCd4As3 for angle and magnetic field detection applications.

Design of Ga2O3 Trench Gate MOSFET Devices with Dielectric Pillars

Abstract In this study, a β-Ga2O3 U-groove gate metal-oxide-semiconductor field-effect transistor (UMOSFET) with a high breakdown voltage (BV) is proposed. Through TCAD simulation, both forward and reverse electrical characteristics are comprehensively investigated. The integration of traps within the current blocking layer (CBL) is suggested to enable effective current blocking. Furthermore, to optimize the BV, the introduction of oxide dielectric pillars on either side of the drift layer is implemented to enhance the potential distribution during breakdown. The forward and reverse electrical characteristics of the device at different temperatures are also investigated. Additionally, by conducting simulation optimizations of different doping concentrations in the drift layer, CBL layer thickness, and trap concentrations, notable achievements are realized, which include a high BV of 865.2 V, low threshold voltage of 2.587 V, and low specific ON-resistance of 19.2 mΩ·cm2. This study presents a novel structural design to foster the potential application and development of Ga2O3 electronic devices.

Polymorphism in Type-II Dirac Semimetal WSi2 under Pressure: Structural, Mechanical, and Electronic Insights.

The type-II Dirac candidate semimetal WSi2 is a promising candidate for electronic devices, quantum computing, and topological materials research, owing its distinct electronic structure and superior mechanical properties. Here, we synthesized high-quality WSi2 materials and systematically investigated their compressive behavior, and structural and electronic properties under high pressure using in-situ high pressure experiments, complemented by first-principles calculations. The results confirms that WSi2 has the properties of a type-II Dirac semimetal. Our results demonstrate that WSi2 maintains structural stability under high pressure but undergoes an electronic phase transition from a semimetal to a metal around 40 GPa. Additionally, the mechanical hardness softens discontinuously at this pressure. The structural stability of WSi2 under high pressure is attributed to the strong hybridization of Si-3p and W-5d electrons, the rigid crystal lattice, and the adaptable electronic structure. The pressure-induced electronic phase transition and softening are primarily governed by the energy band reconstruction and W-5d orbitals. This study provides valuable insights into the high-pressure behavior of type-II Dirac semimetal, highlighting their potential for advanced applications in electronic devices and topological quantum computing under extreme conditions by elucidating their structural stability and electronic phase transition mechanisms.

Caesium-Iodide-Assisted Synthesis of High-Quality, Stable, and Robust Lead-Free Perovskite Quantum Dots.

The poor morphology, and susceptibility to oxidation of tin-based perovskite quantum dots (TQDs) have posed significant challenges, limiting their application potential. This study presents a straightforward method for synthesizing high-quality CsSnI3-based perovskite quantum dots (TQDs) by incorporating a mixed Cs source of Cs2CO3 and CsI. The addition of CsI increased the I:Sn ratio while maintaining Sn:Cs, resulting in TQDs with smaller size and improved uniformity. X-ray photoelectron spectroscopy (XPS), and Nuclear magnetic resonance (NMR) analyses confirmed enhanced crystallinity, photoluminescence intensity, and antioxidation ability of CsI-TQDs. Remarkably, these TQDs exhibit exceptional stability, enduring over 1 h in air and more than 24 h before complete oxidation, surpassing the previously reported longest lifetime in air for TQDs with conventional oleic acid (OA) and oleylamine (OAm) ligands. Furthermore, these TQD films retain robustness after ligand exchange with methyl acetate (MeOAc) and formamidinium iodide (FAI), representing the first successful short-ligand exchange of TQDs and enabling further electronic device applications. These findings suggest that CsI in the Cs source plays a crucial role in facilitating the formation of surface complexes, regulating TQD growth and suppressing iodine vacancies.

Exploring the structural and electronic properties of N-doped Ti2C MXenes for novel applications in advanced materials and devices: A DFT study

MXenes, a category of two-dimensional transition metal carbides and nitrides, have attracted significant interest owing to their distinctive characteristics. This study utilizes Density Functional Theory (DFT) to examine the effects of nitrogen doping on the structural and electrical properties of Ti2C MXenes. N-doping induces significant alterations in the lattice structure and electronic properties, culminating in an elevated density of states at the Fermi level, indicating improved conductivity. Furthermore, optical characteristics such as reflectivity and loss function are affected by N-doping, resulting in a shift in the intensity of the reflectivity peak. The alterations provide N-doped Ti2C MXenes viable candidates for advanced applications in energy storage, catalysis, and electronic devices, facilitating future empirical and theoretical investigations in MXene-based materials.

Changes in electronic structure within NiSx (0.60 < x < 1.53) compound series

In this article, changes in electronic properties of NiSx series of films with different sulfur content (x = S/Ni) are studied using X-ray (XPS) and ultra-violet (UPS) photoelectron spectroscopy techniques. NiSx (0.60 < x < 1.53) films are synthesized on native oxide of Si(111) substrates via reactive deposition of Ni and S in an ultra-high vacuum chamber by varying the sulfur pressures and substrate temperatures. The binding energy (BE) of Ni2p3/2 core level, the separation between the Ni2p3/2 main peaks and satellite peaks, and the Ni3d valence band binding energies are all found to vary nearly linearly with the sulfur content in NiSx series of compounds, suggesting a direct dependence of Ni electronic charge on the sulfur content. The shift of the Ni3d and S3p states (to higher and lower BE, respectively) with an increase in the S content provides experimental confirmation of the theoretical prediction previously reported (Wen et al., 2020) [1]. All NiSx films showed density of states (DOS) at the Fermi level, indicating their metallic nature. The Ni2p3/2 binding energy shift of NiSx films are much smaller than that of oxide-based compounds, confirming the significantly more covalent nature of the sulfides. NiSx film grown on Si (111) substrate showed nickel silicide interface formation. This study provides information on the growth and trends in the electronic properties of NiSx relevant for their applications in catalysis, energy storage, and electronic devices.

Impact of Temperature and Substrate Type on the Optical and Structural Properties of AlN Epilayers: A Cross-Sectional Analysis Using Advanced Characterization Techniques

AlN, with its ultra-wide bandgap, is highly attractive for modern applications in deep ultraviolet light-emitting diodes and electronic devices. In this study, the surface and cross-sectional properties of AlN films grown on flat and nano-patterned sapphire substrates are characterized by a variety of techniques, including photoluminescence spectroscopy, high-resolution X-ray diffraction, X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and Raman spectroscopy. The results indicate that different sapphire substrates have minimal impact on the photoluminescence spectrum of the epitaxial films. As the temperature increased, the radius of curvature of the AlN films increased, while the warpage decreased. The AlN films grown on nano-patterned substrates exhibited superior quality with less surface oxidation. During the growth of AlN thin films on different types of substrates, slight shifts in the energy bands occurred due to differences in the introduction of carbon-related impurities and intrinsic defects. The Raman shift and full width at half maximum (FWHM) of the E2(low), A1(TO), E2(high), E1(TO), and E1(LO) phonon modes for the cross-sectional AlN films varied with the depth and temperature. The stress state within the film was precisely determined with specific depths and temperatures. The FWHM of the E2(high) phonon mode suggests that the films grown on nano-patterned substrates exhibited better crystalline quality.

Interface analysis of oxide free MoS2 films fabricated by solution process.

We report a solution-based approach for the synthesis of oxidation-free MoS2 films, focusing on interface analysis. Through a sulfurization-free solution process and single-step annealing, the oxidation-free MoS2 film is successfully prepared on Si3N4 surfaces, showing improved uniformity with a surface roughness below 0.5nm and a thickness of 4nm at a precursor solution concentration of 30 mM, annealed between 700 and 800ºC. The MoS2 films exhibit a hexagonal lattice structure with crystallographic orientations of (1 1 0 0) and (1 2 1 0) with lattice spacings of 0.27nm and 0.16nm respectively. Interfacial analysis by X-ray photoelectron spectroscopy (XPS) on SiO2 reveals migration of oxygen species as evidenced by a shift in the Si 2p spectrum at binding energies between 102.6eV and 102.8eV. MoS2 films on Si3N4 show a complex Si 2p peak evolution at binding energies between 100.9 and 101.8eV, providing valuable insights into the synthesis of oxide-free MoS2 films for potential applications in advanced electronic devices.

Tungsten interior doping engineering induced sulfur vacancies of MoS2 for efficient charge transfer and nonlinear optical performance: Implications for optical limiting devices

Modulating the photoelectric properties of molybdenum disulfide (MoS2) through defect engineering and heterometal doping is crucial for its potential applications in electronic and optoelectronic devices. Herein, a comprehensive overview is provided on the advancements of two-dimensional materials with a ternary structure comprising sulfur (S), molybdenum (Mo), and tungsten (W) in the field of optoelectronic device. A ternary W-P/MoS2 (P: direct current target power) nanomaterial was designed and synthesized using W interior doping engineering induced S vacancies. The experimental results reveal that the introduction of W metal causes lattice distortion in MoS2, leading to the formation of S vacancies within W-P/MoS2. Compared to pure MoS2, W-P/MoS2 with S vacancies demonstrates enhanced reverse saturable absorption and optical limiting. Density functional theory calculations suggest that the S vacancies introduced by W doping in MoS2 introduce defect energy levels, which are believed to be the reason for the improved nonlinear optical (NLO) performance of W-P/MoS2. Furthermore, transient absorption spectroscopy reveals the photophysical model of carrier relaxation and presents an explanation for the optimized NLO properties of W-P/MoS2. This work provides a novel strategy for the design and synthesis of ternary transition metal dichalcogenides and modulating the NLO properties by doping transition metal-mediated vacancies.

Recent advances of core–shell nanocrystals dispersed liquid crystal nanocomposites for their applications in electronic devices: A mini review

Recent advances of core–shell nanocrystals dispersed liquid crystal nanocomposites for their applications in electronic devices: A mini review

Van der Waals GeSe with Strain- and Gate-Tunable Linear Dichroism for Wearable Electronics.

The direct detection of light polarization poses a crucial challenge in the field of optoelectronics and photonics. Herein, the tunable linear dichroism (LD) in GeSe-based polarized photodetectors is presented through electronic and structural asymmetry modulation, and demonstrate their application prospects in wearable electronics. An improvement in the dichroic ratio up to 34% is achieved under a gate voltage of 20V, and the improvement reaches 44% by applying a tensile strain along the zigzag direction. Theoretical calculations reveal that the gate regulation of barrier height between GeSe and Au electrodes is responsible for the electrical-tunable LD, while the anisotropic optical absorption in response to strains leads to the strain-tunable LD. Moreover, flexible GeSe transistors are developed for wearable applications including motion sensors and glucose monitors. This study offers viable approaches for modulating the optical anisotropy of low-dimensional materials and emphasizes the versatility of van der Waals materials for practical applications in wearable electronic devices.

Controlled Distribution of MXene on the Pore Walls of Polyarylene Ether Nitrile Porous Films for Absorption-Dominated Electromagnetic Interference Shielding Materials.

With the increasing application of electronic devices, absorption-dominated electromagnetic interference shielding materials (EMISM) have garnered significant attention for preventing secondary electromagnetic pollution. In this study, polyethyleneimine (PEI)-modified MXene (PEI@MXene) is fabricated and achieved its controlled distribution on the pore walls of polyarylene ether nitrile (PEN) porous films via the phase inversion method (PIM) to obtain a closed porous skeleton of MXene on the pore walls (CPS-MPW). The resulting PEI@MXene/PEN composite film (CFx) exhibited absorption-dominated EMIS efficiency (EMISE). Attributing to the strong interaction between PEI and the hydrophilic segment of amphiphilic Pluronic F127, with its hydrophobic segment anchored by the PEN matrix, PEI@MXene is directionally distributed on the pore walls of CFx. In addition, resulting from the cladding of MXene with PEI and isolating it with closed honeycomb pores, the obtained CFx are insulators without forming aconductive network. As a result, these CFx demonstrate absorption-dominated EMISE with the highest SET of 41.2 dB and coefficient A higher than 0.51. Further continuous hot pressing of CFx results in thinner and denser films with an impressive specific EMISE up to 750 dBcm-1. The successful fabrication of these CPS-MPW-type CFx with absorption-dominated EMISE provides a reference for developing and preparing novel EMISM.

Novel insights into PLMN-13PT ceramics: impact of spark plasma sintering on compositional and dielectric properties

AbstractThis study investigates the effects of Spark Plasma Sintering (SPS) on the physical, structural, microstructural, dielectric, and optical properties of on 87[Pb(1−y)Laₓ(Mg1/3Nb2/3)O3]-13PbTiO3, (PLMN-13PT) ceramics. The primary objective was to evaluate how SPS influences the densification, grain growth, and compositional variations of these ceramics, which are critical for electronic device applications. The results demonstrate that SPS effectively achieves high relative density while suppressing grain growth, leading to a more homogeneous microstructure. However, the rapid densification process also induces compositional variations that significantly impact the dielectric properties, including the reduction of undesirable phases like pyrochlore, which are detrimental to performance. These findings highlight the potential of SPS for optimizing PLMN-13PT ceramics, enhancing their suitability for the miniaturization of multifunctional electronic devices.

Deriving 2D in-plane heterostructures in TMDC nanosheets via electron beam irradiation

2D in-plane heterostructures can enhance the electronic performance of hybrid systems, allowing for a variety of electronic device applications. However, precisely achieving uniform in-plane heterostructures with seamless interfaces at the same atomic planes remains a challenge. In this work, 2D in-plane heterostructures were successfully fabricated through electron beam irradiation-induced phase transformation in transition metal dichalcogenides (TMDCs). The transformed phases were seamlessly connected to the pristine TMDCs, forming ultraclean and atomically sharp interfaces of heterostructures. The phases were stable and determined to be novel tetragonal-like atomic structures by experimental and theoretical analyses. In situ transmission electron microscopy revealed that the phase transition involved atomic loss, lattice contraction, and then significant structural reconstruction in the pristine TMDCs. These results demonstrate that electron irradiation can efficiently achieve precise manufacturing of 2D in-plane heterostructures, offering new opportunities for the development of high-quality 2D in-plane heterostructures and novel 2D devices with high performance.