Band Diagram Research Articles

Nanomaterial SnS2-Based Sensor for VOC Gas Detection at Room Temperature

Real-time indoor hazardous gases monitoring has gained interest in ensuring human health. An effort to design gas sensing devices, which are compact in size, flexible, and low power consumption, providing high-performance sensing plays a crucial role in precise sensing of the indoor environment. Here, we have fabricated 2D SnS2 flakes for gas sensor. The 2D ultra-thin SnS2, including a few layers, shows fascinating sensing toward Volatile organic compounds (VOCs) under room temperature with high response and fast reaction speed. The short-term stability versus time of the SnS2 sensor is investigated. Due to the great adsorption of gaseous molecules, the SnS2-gas sensor operates at room temperature without external heating sources. The Schottky junction-based sensor is one of the key factors contributing to the higher performance of the sensor. Furthermore, its VOC-sensing mechanism is explained obviously through the energy band diagram. The SnS2-layer is considered a promising candidate in indoor VOCs monitoring and respiratory biomarker analysis in the future.

The Effects of a Gate Bias Condition on 1.2 kV SiC MOSFETs during Irradiating Gamma-Radiation.

We investigated the effects of gate bias regarding the degradation of electrical characteristics during gamma irradiation. Moreover, we observed the punch through failure of 1.2 kV rated commercial Silicon Carbide (SiC) Metal Oxide Semiconductor Field Effect Transistors (MOSFETs) due to the influence of gate bias. In addition, the threshold voltage (VT) and on-resistance (Ron) of the SiC MOSFETs decreased significantly by the influence of gate bias during gamma irradiation. We extracted the concentration of carriers and fixed charge (QF) in oxide using N-type SiC MOS capacitors and Transmission Line Measurement (TLM) patterns to analyze the effects of gamma irradiation. The Total Ionizing Dose (TID) effect caused by high-energy gamma-ray irradiation resulted in an increase in the concentration of holes and QF in both SiC and oxide. To analyze the phenomenon for increment of hole concentration in the device under gate bias, we extracted the subthreshold swing of SiC MOSFETs and verified the origin of TID effects accelerated by the gate bias. The QF and doping concentration of p-well values extracted from the experiments were used in TCAD simulations (version 2022.03) of the planar SiC MOSFET. As a result of analyzing the energy band diagram at the channel region of 1.2 kV SiC MOSFETs, it was verified that punch-through can occur in 1.2 kV SiC MOSFETs when the gate bias is applied, as the TID effect is accelerated by the gate bias.

Reliability aspects in repulsive steric hindrance approach: Selectivity and sensitivity investigations

Dual metal regulated bottom gate top contact structured Organic Thin Film Transistor based biosensor (Bio-OTFT) for recognition of breast cancer cell lines along with the non-tumorigenic epithelial cell line is presented here. A feasible fabrication scheme for Bio-OTFT has been demonstrated. Repulsive steric hindrance (RSH) consideration inside the cavity zone directs more practical and realistic sensing mechanisms. The insightful electrostatic analysis regarding electric field, energy band diagram, transfer characteristics (IDS-VGS), and transconductance (gm) has been described. Alteration of the dielectric constant (k) of these cancerous and healthy cell lines stated the recognition scheme in this reported Bio-OTFT. The efficiency of the recommended model has been assessed thoroughly with the reported OTFT literatures. The sensitivity is examined respecting drain current (IDS) in (A/μm), gm in (μS/μm), threshold voltage (VTH) in Voltage and sub-threshold swing (SS) in (mV/dec) and reaches to the maximum value of 2.3 × 108, 1.85 × 1010, 0.68, and 0.08 for T-47D cell line at VGS = −1.25 V. The recommended model thus suggests an enormous reliability and possibility for biosensing purposes.

Photocatalytic activity in graded off-valent cations substituted NaNbO3

This study investigates the impact of off-valent doping on the photocatalytic properties of NaNbO3 concerning the degradation of Methylene Blue. Compositions with x values of 0.00 (representing pure NaNbO3, denoted as NBO) and 0.05 within the material system Na1-xAxNbO3 (where A is K1+, Ba2+, La3+, abbreviated as K-NBO, Ba-NBO, and La-NBO respectively) were synthesized using the conventional solid-state reaction method. The UV–visible analysis revealed a decrease in the band gap for samples K-NBO and Ba-NBO, while an increase was observed for sample La-NBO. Raman modes of lower wave numbers merged and shifted towards the higher wave number side. The determination of valence band edge and conduction band edge involved computational analysis based on XPS survey scans, and the band gap energy values were derived from UV–Visible spectroscopy results. Examining the band diagram of the samples (NBO, K-NBO, Ba-NBO, and La-NBO) in conjunction with the highest occupied molecular orbital and lowest unoccupied molecular orbital levels of MB dye provided insights into potential degradation mechanisms. Photocatalytic dye degradation experiments for Methylene Blue demonstrated that doping increased the degradation efficiency of samples K-NBO, Ba-NBO, and La-NBO compared to NBO. Among all NaNbO3 based prepared samples, Ba-NBO exhibited the highest degradation efficiency of 96%, however slightly less than the reference sample P25 TiO2.

Barium titanate write-once read-many times resistive memory with an ultra-high on/off current ratio of 108

Write-once read-many times (WORM) resistive memories fabricated using perovskite barium titanate (BaTiO3, BTO) resistive switching (RS) layer are demonstrated in this study. The BTO RS layers with thicknesses of 3.2–8.5 nm are fabricated by radio frequency sputtering at room temperature. Annealing processes at 400–600 °C are used to modify the oxygen vacancy content in the BTO layer and thereby control the OFF-state current of an Al/BTO/n+-Si WORM device. The ION/IOFF ratio increases with increasing annealing temperature until 500 °C. A negative effect is observed when the temperature further rises to 600 °C. The optimal Al/BTO/n+-Si device shows an ultra-high ION/IOFF ratio of 108 and a low coefficient of variation of 6% for set voltages. The writing speed is 80 ns and the power consumption is 400 pJ. In addition, retention and stress tests are performed to confirm high data storage reliability of the device. Mechanisms for voltage-polarity independent writing process and the related energy band diagrams are explored.

The Role of Cobalt‐Based Cocatalysts on BiVO4 for Photoelectrochemical Water Oxidation

AbstractCocatalysts play a key role in enhancing activity of photoelectrodes while the study of their interaction remains a challenge. Here, we decoupled the relationship between oxygen evolution reaction (OER) performance and photoelectrochemical (PEC) water oxidation performance by modifying an identical BiVO4 with different cobalt‐based OER catalysts including Co, CoO, Co3O4, and Co4N. The electrochemical OER activities of these cobalt specimens were quite similar. Their anodic photocurrent density followed an order of: Co4N>Co>Co3O4>CoO after loading on the BiVO4 electrode. The kinetics process and energy band diagram were analyzed, revealing that the interface between different cobalt specimens and BiVO4 electrode influenced the charge recombination and transfer. Accordingly, we propose a corresponding structural model, which shows that the cocatalysts consist of inner part for interface modulation and the outer layer for catalysis. The present work reveals the vital role of contact interface between cocatalysts and semiconductors, and more attention should be paid when selecting the cocatalysts.

Band alignment and electronic structure of β-Ga2O3 (−201) grown on Si- and C-faces of 4H–SiC substrates

In this manuscript, epitaxial beta-Ga2O3 films were prepared on 4H–SiC substrates via low-pressure chemical vapor deposition. β-Ga2O3 thin films with a (−201) preferred orientation were formed on (Si-face) 4H–SiC (0001) and (C-face) 4H–SiC (000‾1) with surface roughness values of 2.92 and 3.97 nm, respectively. The band alignments of both Si- and C-faces of β-Ga2O3/4H–SiC heterojunctions were investigated via X-ray photoelectron spectroscopy. The bandgaps for Si- and C-faces of β-Ga2O3 were measured to be 4.92eV and 4.79eV, respectively. The band diagrams revealed that the Si- and C-faces of β-Ga2O3/4H–SiC heterojunctions are straddling-gap (type I). The valence band offsets were determined to be 1.46 ± 0.05 and 1.19 ± 0.05 eV for Si- and C-faces, respectively. The conduction band offsets were shown to be 0.20 ± 0.05 eV for the Si-face and 0.34 ± 0.05 eV for the C-face. The comprehensively evaluation of the band offsets for Si- and C-faces of β-Ga2O3/4H–SiC heterojunctions have significant meaning for the design and optimization of electronic devices.

Design of Aluminum Doped ZnO/Phenyl-C-Butyric Acid Methyl Ester/Tungsten Disulfide (AZO/PCBM/WS2) Heterojunction-Based Device for Applications in Solar Cells and Broadband Self-Powered Photodetectors.

The domain related to the use of renewable energy is showing high interest among the researchers in the current days, and light energy can be considered as one of such. Solar cells are the kind of devices that use light energy in an efficient way to generate electricity. Hence, designing and developing a solar cell requires meticulous attention to get an optimum output. This work focuses on designing and optimization of aluminum dope ZnO/phenyl-C-butyric acid methyl ester/tungsten disulfide (AZO/PCBM/WS2) heterojunction-based device for applications in solar cells. Moreover, considering the high demand of optoelectronics like photodetectors, this work also uncovers the capabilities of the device in the applications of broadband self-powered photodetectors. The optimized values of several parameters of the device such as the thickness and doping density of the WS2 layer, the defect density of the WS2 layer, and the interface PCBM/WS2 were 2 μm, 1017 cm-3, 1014 cm-3, and 1010 cm-2, respectively. These optimal conditions facilitated in obtaining fill factor and efficiency values of 84.78 and 23.92%, respectively. Further, the photodetection performance was evaluated with the parameters like responsivity and detectivity. The maximum calculated responsivity of the device at 0 V bias was 0.63 A/W at 880 nm, whereas the maximum detectivity was 1.54 × 1013 Jones. This study also extensively focuses on the in-depth understanding of the physics associated with the movement of the charge carriers under the illuminated conditions by studying the band diagrams and the electric fields of the heterojunctions at various conditions.

Reverberation ray matrix analysis for wave propagation in beam structures with rigid components

The method of reverberation-ray matrix (MRRM) is modified for the dynamic response analysis of beam structures with rigid components. The wave expressions for the beam structures are derived based on the Timoshenko beam theory, and the MRRM formulations are obtained through the compatibility conditions of displacements and joint coupling equations by considering the effects of rigid components. An application of this method is considered in the context of a phononic crystal with spring-mass-like resonators. The proposed resonant unit consists of a large mass-like central component connected to thin beams that serve as springs. The large central component can be approximated as a rigid body. Using the MRRM and the finite element method (FEM), the band diagrams and the transmission spectrums are calculated. The innovative cell offers the advantage of producing lower and wider bandgaps when compared to traditional lattice structures. The accuracy of the MRRM is verified with the FEM. The current research provides a vibration analysis approach for beam structures with rigid components and the analysis of phononic crystals serves as a reference for structural design.

Trench Dual Gate Junctionless Field Effect Transistor

Diversified biomolecules sensing is turning out to be the most promising area of research due to ever decreasing healthy lifestyle. Field effect transistorized biosensing approach puts its signature as label free, portable and also very careful pathway. In this present work a trench structured dielectric modulated double gate junction-less field effect transistor (TG-DMJLFET) is urbanized using SILVACO ATLAS simulator for label free detection of biomolecules. The developed structure has two vertically positioned gates in distinct trenches. For immobilizing biomolecules, two cavities are formed in the gate oxide region for dielectric modulation. The dielectric constant (k) has been varied over a wide range of 1.54 (Uricase) to 12(Gelatin) signifying the sensing of diverse charged biomolecules. The sensitivity is evaluated in terms of threshold voltage shift and transconductance . The in-depth electrostatic analysis is illustrated in terms of central potential ,energy band diagram ,drive current and also by the depiction of the electric field .In case of charged biomolecules, the shift in threshold voltage is obtained as 350 mV for change in the di-electric constant (k) ranging from 1.54 to 12. The transconductance alteration is observed as 1.94×10-5 when the k is changed from 3.46 to 12 .The device has showed excellent performance in biomolecules sensing.

Insights into the design principles of JF-ED-VTFET for biosensing application

In this research article, we have designed a junction-free electrostatically doped vertical tunnel field-effect transistor (JF-ED-VTEFT) for label-free biosensing applications. We incorporated a nano-cavity within the gate-oxide layer near the source end of the FET to enable the detection of biomolecules based on the principle of dielectric modulation and without the requirement of external labeling. The proposed biosensor is thoroughly analyzed, considering various aspects such as electric field, energy band, transfer characteristics, and sensitivity parameters including energy band diagram, ON-current, ION/IOFF ratio, electrical analysis, and surface potential characteristics. The investigation of sensitivity encompasses practical challenges, such as different filling factors and step-profiles resulting from steric hindrance. In addition, the performance of the biosensor is evaluated by analyzing the temperature and scaling fluctuation in the integrated nanocavities. Additionally, values of biomolecules that are close to standard have been taken to validate the performance and provide insight into the sensitivity of the biosensor for detecting and analyzing the molecules.

Biaxial tensile-compressive deformation on the electronic structure and optical properties of doped with different concentrations F–MoTe2: A first-principles study

Under the framework of density functional theory based on the first principles, the plane wave pseudopotential method was used to investigate the effects of biaxial stretch-compression deformation on the electrical structure and optical characteristics of molybdenum telluride systems doped with various fluorine atom concentrations. Electrical structure, density of states, charge transfer, and optical characteristics were calculated and thoroughly investigated in the molybdenum ditelluride system. The results demonstrate that the band gap shrinks with increasing fluorine atom doping concentration of fluorine atoms, and n-type doping occurs for different doping concentrations of halogen fluorine atoms. The semiconductor-quasi-metal transition occurs in the MoTe2 system when the doping concentration reaches 16.67%. After that, the fluorine atoms with 4% doping concentration were deformed by stretching and compression, and the semiconductor started to transition to quasi-metal as the amount of stretching increased. The deformation of the system changed considerably when the stretching amount was 14%. Compression induces a direct-to-indirect bandgap transition, transforming semiconductors into metals. Significant changes in electronic energy band diagrams and density of states diagrams. In terms of optical qualities, the absorption spectra of the entire system are blue-shifted during stretching and compression. The reflectance spectra are red-shifted and then blue-shifted.

Wavelength division multiplexing based on the coupling effect of helical edge states in two-dimensional dielectric photonic crystals.

Photonic topological insulators with topologically protected edge states featuring one-way, robustness and backscattering-immunity possess extraordinary abilities to steer and manipulate light. In this work, we construct a topological heterostructure (TH) consisting of a domain of nontrivial pseudospin-type topological photonic crystals (PCs) sandwiched between two domains of trivial PCs based on two-dimensional all-dielectric core-shell PCs in triangle lattice. We consider three THs with different number of layers in the middle nontrivial domain (i.e., one-layer, two-layer, three-layer) and demonstrate that the projected band diagrams of the three THs host interesting topological waveguide states (TWSs) with properties of one-way, large-area, broad-bandwidth and robustness due to coupling effect of the helical edge states associated with the two domain-wall interfaces. Moreover, taking advantage of the tunable bandgap between the TWSs by the layer number of the middle domain due to the coupling effect, a topological Y-splitter with functionality of wavelength division multiplexing is explicitly demonstrated exploiting the unique feature of the dispersion curves of TWSs in the three THs. Our work not only offers a new method to realize pseudospin-polarized large-area TWSs with tunable mode-width, but also could provide new opportunities for practical applications in on-chip multifunctional (i.e., wavelength division multiplexing) photonic devices with topological protection and information processing with pseudospin-dependent transport.

Effect of Fe doping on crystalline phase, structure and photocatalytic properties of TiO2 thin films

Undoped and Fe-doped TiO2 thin films were fabricated on Si substrates using sol-gel method. XRD and Rietveld refinement results show the anatase to rutile transition in the system. SEM and AFM spectra demonstrate that the generation of agglomeration phenomena after Fe doping provides the nucleation point for the phase transition, and the difference in the Gibbs free energies of the two phases provides the driving force for the phase transition. XPS measurements verify that the formation of oxides after Fe doping contributes to the surface thermodynamic equilibrium and the possibility of the surface atomic rearrangements during the anatase to rutile phase transition. The energy band diagram illustrates at the level of electronic structure that the phase transition raises the position of the conduction band minimum of the film and the oxide of Fe that is formed becomes the charge complex center. Finally, the results of degradation of methylene blue solution under simulated visible light irradiation show that Fe doping reduces the photocatalytic ability of TiO2 films. The corresponding mechanism is proposed to explain the photocatalytic activity by which Fe3+ of larger radius replaces Ti4+ to promote the transition of the film from anatase to rutile and to act as a charge complex center.

Sluggish Electron Transfer of Oxygen-Terminated Moderately Boron-Doped Diamond Electrode Induced by Large Interfacial Capacitance between a Diamond and Silicon Interface.

Boron-doped diamond (BDD) has tremendous potential for use as an electrode material with outstanding characteristics. The substrate material of BDD can affect the electrochemical properties of BDD electrodes due to the different junction structures of BDD and the substrate materials. However, the BDD/substrate interfacial properties have not been clarified. In this study, the electrochemical behavior of BDD electrodes with different boron-doping levels (0.1% and 1.0% B/C ratios) synthesized on Si, W, Nb, and Mo substrates was investigated. Potential band diagrams of the BDD/substrate interface were proposed to explain different junction structures and electrochemical behaviors. Oxygen-terminated BDD with moderate boron-doping levels exhibited sluggish electron transfer induced by the large capacitance generated at the BDD/Si interface. These findings provide a fundamental understanding of diamond electrochemistry and insight into the selection of suitable substrate materials for practical applications of BDD electrodes.

On the combination of ultraviolet photoelectron spectroscopy with optical absorption studies to investigate Cu2O||TiO2 direct Z-scheme junctions with different Cu2O loading

Among the electronic properties, the positions of the electronic band edges and the work function are essential parameters for determining the potential of a photocatalyst and its ability to function in a solar conversion system. A novel type of photocatalysts, called direct Z-schemes, possesses many advantages over conventional heterojunctions, which all benefit the catalytic performance under solar light. As oxidation and reduction reactions are greatly affected by the electrical characteristics of the material, ultraviolet photoelectron spectroscopy (UPS) is a powerful tool to determine and quantify important electronic parameters of previously fabricated TiO2‖Cu2O junctions. TiO2 nanotubes modified with Cu2O nanoparticles exhibit a reduction in the value of the work function (WF = 3.67 ± 0.01 eV) and ionization potential (IP = 6.01 ± 0.04 eV) with respect to the TiO2 substrate (WF = 4.29 ± 0.02 eV and IP = 7.65 ± 0.05 eV). By varying the electrodeposition time, an optimized amount of deposited Cu2O nanoparticles was proven to reduce the WF and IP to facilitate the excitation of electrons, which could be correlated to the improved absorbance in the visible wavelength range. This work proposes a valuable methodology for band diagram tracing from UPS spectra and provides new insights in the relationship between synthesis, electronic properties and visible light absorption of titania based Z-schemes for photocatalytic applications with a combination of surface sensitive techniques and optical absorption studies.

Controllable Floquet topological phases in the magnetic ladder system

Utilizing both the electric and magnetic fields to manipulate electron dynamics enables the external control of topological states. This study investigates the topological characteristics of a quasi-one-dimensional ladder lattice subjected to a time-periodic electric field and a constant magnetic field. The Floquet topological phases are determined in the high-frequency approximation. In the absence of a magnetic field (φ = 0), the energy band diagram is modulated by the electric field parameter α/ℏω , leading to a topological phase transition when α/ℏω crosses the value of 1. When a magnetic field is present ( ϕ=π ), the topological phase transitions in the ladder model are influenced by both the electric field parameter α/ℏω and the perpendicular hopping t 0, resulting in a diverse range of adjustable topological states. These discoveries offer promising prospects for the utilization of ladder lattice systems with externally modifiable topological properties.

Poly-Si/a-Si/4H-SiC p-n heterojunction broadband photodetector prepared by magnetron sputtering

With the increasing complexity of scenarios, there is a growing need for broadband photodetectors (PDs). In this work, we report a polycrystalline-Si (poly-Si)/amorphous-Si (a-Si)/4H-SiC p-n heterojunction PD with efficient response in a broad spectral range of ultraviolet–visible–near-infrared. The poly-Si/a-Si/4H-SiC heterojunction was achieved by magnetron sputtering and annealing. The fabricated heterojunction device has a low dark current of 1 pA at −40 V and a fast response time of 3 ns due to the outstanding rectification characteristics of the heterojunction combined with narrow bandgap and wide bandgap material. In addition, the carrier behavior of the heterojunction exposed to broadband light is analyzed in detail by constructing the energy band diagram.

Superior device characteristics of needle-contact Ge Schottky barrier diodes for low-power applications

We measured and compared the I–V characteristics of needle- and junction-contact Ge Schottky barrier diodes (SBDs). The threshold voltage (V th) of I–V characteristics in needle-contact SBDs was revealed to be lower than that of junction-contact SBDs, which resulted in higher current in the low-voltage region. This indicates that needle-contact SBDs are more suitable for low-power applications. The lower V th in needle-contact SBDs indicates the lower Schottky barrier height. We proposed a band diagram of needle-contact SBDs, where the lower Schottky barrier height is assumed considering the effect of surface potential. We confirmed the validity of the model by fitting analysis.

P-GaAs/n-Ga2O3 heterojunction diode with breakdown voltage of ∼800 V

As an attractive next generation ultrawide bandgap material, Ga2O3 has been demonstrated to be capable of high voltage operation. However, the lack of shallow p-type dopant in Ga2O3 leads to difficulties in developing Ga2O3 based bipolar devices. The semiconductor grafting technology, by bonding a single crystalline p-type semiconductor nanomembrane (NM) to n-Ga2O3 to from abrupt heterojunction, offers a way to expand the application of Ga2O3 in bipolar areas. In this Letter, we report a p-GaAs/(001)-Ga2O3 heterojunction diode fabricated using semiconductor grafting technology. The single crystalline GaAs NM was prepared and transferred onto a Ga2O3 substrate, showing good integrity. Diodes of a mesa diameter of 25 μm were fabricated, showing a high breakdown voltage of ∼800 V, a power figure of merit of 126.5 MW/cm2, and a calculated 1D peak electric field of 1.60 MV/cm. The turn on voltage of the diode was determined to be around 1.91 V with an on–off ratio to be 6 × 106 at −4/4 V and the specific on resistance to be 5.06 mΩ cm2. The ideality factor was extracted to be approximately 1.34, indicating reasonable interface quality. The interfacial defects and the self-passivation effects of Ga2O3 are discussed, and the theoretical band diagram was analyzed for the p-GaAs/n-Ga2O3 heterojunction. By managing the peak electric field with suitable edge termination techniques, higher breakdown voltage can be expected. In addition, by taking advantage of the InGaAsP alloy system, a wide variety of GaAs-Ga2O3 based high voltage HBT can be further developed.