Hole Concentration Research Articles

Comparative ab initio study of the electronic structure and thermoelectric properties of tin selenide with electron and hole conductivity

Ab initio calculations of the electronic structure and thermoelectric characteristics of low- and high-temperature phases of tin selenide, SnSe, with electronic and hole conductivity have been performed. It is shown that the calculations of thermoelectric properties on the basis of the Boltzmann-Onzager theory with consideration of carrier scattering on optical phonons lead to results in good agreement with experimental data. At temperatures below 600 K the modeling correctly reproduces the increased values of the figure-of-merit of electron-doped SnSe in comparison with almost stoichiometric or hole-doped selenide calculations. We explain anomalously high figure-of-merit values of the non-doped selenide at T > 600 K by the hole concentration increase due to oxidation of SnSe or the appearance of vacancies in the tin sublattice. For all the considered variants, i.e. for electron-doped low-temperature and high-temperature phases and low-temperature hole-doped phase, the modeling predicts the absence of figure-of-merit increase at exceeding some limiting concentration of current carriers.

Conservative numerical algorithm for simulating thermoelectrical semiconductor device with unconditional optimal convergence analysis

We propose conservative type numerical method to simulate thermoelectrical semiconductor device problem, in which mixed finite element method used for electric potential equation, conservative characteristic finite element method for electron and hole concentration equations, and standard finite element method for heat conduction equation. By temporal-spatial error splitting argument, the optimal error estimates without certain time step restriction are derived, and low order convergence rate of electrostatic potential and electric field intensity will not affect the accuracy of the electron, hole density and temperature. Numerical tests are performed to validate the theoretical results and application performance of the given method.

Proton irradiation Of Ga2O3 Schottky diodes and NiO/Ga2O3 heterojunctions.

p-NiO/n-Ga2O3 heterojunction (HJ) diodes exhibit much larger changes in their properties upon 1.1MeV proton irradiation than Schottky diodes (SDs) prepared on the same material. In p-NiO/Ga2O3 HJ diodes, the narrow region adjacent to the HJ boundary is found to contain a high density of relatively deep centers with levels near EC-0.17eV and a depleted region in the immediate vicinity of the HJ boundary. The series resistance of the HJ diodes is slightly higher than for the Schottky diodes and shows a temperature dependence with activation energy ~ 0.12eV, like the temperature dependence of the NiO film resistivity. Irradiation with 1.1MeV protons leads to a decrease of the hole concentration in the NiO, with a high carrier removal rate of ~ 1.3 × 105cm-1 and a strong compensation of the interfacial region where the concentration of the EC-0.17eV centers decreases with a high rate of ~ 7 × 103cm-1. The combined action of these two effects gives rise to the much stronger increase of the series resistance of the HJ diodes compared to Schottky diodes. The observed differences between the radiation response of the HJs and SDs cannot be credibly attributed to the changes of the density of any of the deep electron and hole traps detected in our experiments.

Controllable p-type doping and improved conductance of few-layer WSe2 via Lewis acid

Manipulation of the electronic properties of layered transition-metal dichalcogenides (TMDs) is of fundamental significance for a wide range of electronic and optoelectronic applications. Surface charge transfer doping is considered to be a powerful technique to regulate the carrier density of TMDs. Herein, the controllable p-type surface modification of few-layer WSe2by FeCl3Lewis acid with different doping concentrations have been achieved. Effective hole doping of WSe2has been demonstrated using Raman spectra and XPS. Transport properties indicated the p-type FeCl3surface functionalization significantly increased the hole concentration with 1.2 × 1013cm-2, resulting in 6 orders of magnitude improvement for the conductance of FeCl3-modified WSe2compared with pristine WSe2. This work provides a promising approach and facilitate the further advancement of TMDs in electronic and optoelectronic applications.

High performance deep violet InGaN TQW laser diode through multi-layer thickness optimization using particle swarm optimization method

The paper details the optimization of efficiency parameters for a InGaN TQW laser diode using the particle swarm optimization algorithm through SILVACO software. By adjusting layer thickness based on output power, slope efficiency, and threshold current, significant enhancements were achieved. Three optimized laser diodes (LD1, LD2, LD3) were compared with a primary LD, revealing notable improvements in output power and overall performance. Analysis of carrier recombination rates in the active region highlighted increased stimulated recombination and decreased non-radiative recombination, particularly in the n-side well. The study also showed a more uniform radiative recombination in the quantum wells of the optimized LDs, especially in LD3. Investigation of electron and hole concentrations, current densities, and energy levels demonstrated higher electron and hole current density in the optimized LDs, with LD3 exhibiting substantial improvements over the primary LD. Notably, the optimized LDs displayed reduced threshold current and improved slope efficiency compared to the primary LD. The study identified optimal layer thicknesses based on various cost functions, resulting in significant enhancements in output power (0.561 W), slope efficiency (2.515 W/A), and reduced threshold current (less than 0.029 A), indicative of enhanced TQW laser diode performance. Overall, the research showcases the effectiveness of the particle swarm optimization approach in optimizing GaN-based TQW laser diodes, leading to improved efficiency characteristics and demonstrating the potential for enhanced performance in practical applications.

Derivation of the General Equation of State for a Doped Semiconductor. The Equation is Solved Concerning the Electron Concentration in the Conduction Band for Different Concentrations and Properties of Doping Substances

The paper examines the state of a system consisting of a crystalline semiconductor doped with donor and acceptor impurities. The General Equation of State of the system is derived. Methods are proposed to solve the general equation for the concentration of electrons or holes in a semiconductor. The identity of the General Equations of State of semiconductors and aqueous solutions of electrolytes is discussed. An assumption is made about the practical application of the found relationships.

Spraying-Deposited Transparent p-Type Sn-Doped CuI Film and Its Ultrahigh-Speed Self-Powered Photodetector.

The exploitation of simply processed p-type semiconductors and photodetectors with promising optoelectrical properties remains challenging yet essential for current and future advanced optoelectronic applications. Transparent p-type CuI and Sn-doped CuI (Cu-Sn-I) films and their self-powered photodetectors have been successfully fabricated by the spraying method. It is found that the incorporation of Sn dopants enhances the optical, electrical, and photoelectric properties of CuI thin films as well as their corresponding self-powered heterojunction photodetectors. This improvement of the optoelectrical properties of the Cu-Sn-I film and its photodetector can be attributed to the adjustment of the acceptor defect level and increased hole concentration resulting from Sn doping. The Cu-Sn-I/n-Si photodetector exhibits a responsivity of 10.7 mA/W, a detectivity of 6.79 × 1011 Jones, and a response time of 77 μs/30 μs (0 V bias). The response time exhibits the fastest rise and decay times compared with the other CuI-based self-powered UV photodetectors in recent years, showcasing promising applications in the realm of transparent electronics moving forward. This study also presents an effective strategy for enhancing the electrical properties of p-type semiconductors and devices through effective doping.

Upwind block-centered multistep differences for semiconductor device problem with heat and magnetic influences

In this paper, a mathematical model of semiconductor device with two important factors is discussed. Heat and magnetic influences are considered together. Its numerical approximation is important in information science and other technological innovation fields. The major physical unknowns (the potential, electron concentration, hole concentration, and the heat) are defined by four nonlinear PDEs: an elliptic equation, two convection-diffusion equations and a heat conductor equation. A conservative block-centered method is used to approximate the elliptic equation. The derivatives to time t, ∂∂t(⋅), are discretized by multistep differences for improving the computational accuracy. The diffusions and convection terms are treated by block-centered differences and upwind approximations, respectively. This composite numerical method is suitable for this nonlinear system. Firstly, numerical dispersion and nonphysical oscillations are avoided. Secondly, the unknowns and their adjoint vectors are obtained simultaneously. Thirdly, the law of conservation is preserved. An error estimates is derived. Finally, simple examples are given for showing the efficiency and accuracy.

Probing Populations of Dark Stellar Remnants in the Globular Clusters 47 Tuc and Terzan 5 Using Pulsar Timing

We present a new method to combine multimass equilibrium dynamical models and pulsar timing data to constrain the mass distribution and remnant populations of Milky Way globular clusters (GCs). We first apply this method to 47 Tuc, a cluster for which there exists an abundance of stellar kinematic data and which is also host to a large population of millisecond pulsars. We demonstrate that the pulsar timing data allow us to place strong constraints on the overall mass distribution and remnant populations even without fitting on stellar kinematics. Our models favor a small population of stellar-mass black holes (BHs) in this cluster (with a total mass of 446−72+75M⊙ ), arguing against the need for a large (>2000 M ⊙) central intermediate-mass BH. We then apply the method to Terzan 5, a heavily obscured bulge cluster that hosts the largest population of millisecond pulsars of any Milky Way GC and for which the collection of conventional stellar kinematic data is very limited. We improve existing constraints on the mass distribution and structural parameters of this cluster and place stringent constraints on its black hole content, finding an upper limit on the mass in BHs of ∼4000 M ⊙. This method allows us to probe the central dynamics of GCs even in the absence of stellar kinematic data and can be easily applied to other GCs with pulsar timing data, for which data sets will continue to grow with the next generation of radio telescopes.

Effect of copper doping on zinc oxide for potential use in nanowire devices

AbstractZinc oxide is a promising material in semiconductor research owing to its exceptional properties including wide band gap and high carrier mobility. We observe the effect of copper (a promising acceptor species) doping properties of zinc oxide using Density Functional Theory (DFT). Carrier concentration calculations reveal that the copper doping leads to a p-type semiconductor with an increase in hole concentration to the order of 1018 cm−3. The resultant structure is used to build junctionless nanowire transistors. These nanoscale devices exhibit excellent characteristics including a diameter-normalized on-current of more than 500 μA/μm and an on-current to off-current ratio of greater than 5 × 106 for select configurations. In addition, several design parameters are varied, and guidelines are presented that offer improved performance. Graphical abstract Fig. a Copper-doped zinc oxide junctionless transistor (UL represents source/drain underlap) b Cross-sectional view c Drain current vs gate voltage for one of the devices

Intercalation-Induced Monolayer Behavior in Bulk NbSe2.

Superconductivity at the 2D limit is significant for advancing fundamental physics, leading to extensive research on monolayer two-dimensional materials. In particular, monolayer transition metal dichalcogenides such as NbSe2 exhibit Ising superconductivity due to broken in-plane inversion symmetry and strong spin-orbit coupling, which has garnered significant attention. In this letter, we adopted an organic cation intercalation technique to modulate the interlayer interaction of NbSe2 by expanding the interlayer distance, thereby making intercalated NbSe2 behave similarly to monolayer NbSe2. The interlayer distances of NbSe2 intercalated with THA+, CTA+, and TDA+ cations are almost double or triple that of pristine NbSe2. The superconducting transition temperature (Tc) of THA-NbSe2 is comparable to that of pristine NbSe2, while the charge density wave (CDW) transition temperature is higher. The Tc of intercalated NbSe2 decreases with a reduced hole concentration, and the enhanced CDW is ascribed to the dimensional reduction. Notably, the in-plane upper critical field of intercalated NbSe2 significantly exceeds the Pauli paramagnetic limit, which is similar to the Ising superconductivity observed in monolayer NbSe2. Our work demonstrates that the organic cations intercalated two-dimensional materials exhibit behavior similar to their monolayer counterparts, providing a convenient platform for exploring and modulating physical phenomena at the two-dimensional limit.

CURRENT OSCILLATIONS IN IMPURITY SEMICONDUCTORS WITH BOTH SIGNS OF CURRENT CARRIERS IN THE PRESENCE OF AN EXTERNAL ELECTRIC FIELD, A TEMPERATURE GRADIENT AND A WEAK MAGNETIC FIELD (μ_± H<<C)

It is theoretically shown for the first time that in an external electric and weak magnetic fields, when there is a temperature gradient, an impurity semiconductor radiates energy from itself with a certain frequency. The values of the frequency of current oscillations and the limit of change of the external electric field are found. It is shown that the resistance in the medium has only ohmic character. It is stated that in the above semiconductor, when the concentration of electrons and holes are determined from the obtained expression in theory, the injection of contacts plays a major role for the appearance of the indicated current oscillation in the circuit.

Significantly Enhanced Thermoelectric Performance of p-Type Mg3Sb2 via Zn Substitution on Mg(2) Site: Optimization of Hole Concentration Through Ag Doping.

n-Type Mg3Sb2-based thermoelectric materials have recently garnered significant interest due to their superior thermoelectric efficiency. Yet, the advancement of p-type Mg3Sb2 for thermoelectric applications is impeded by its lower dimensionless figure of merit (zT). In this study, we demonstrate the improved thermoelectric performance of p-type Mg3Sb2 through the strategic optimization of Zn content and Ag doping on the Mg/Zn(2) site. Initially, samples of Mg3-xZnxSb2 (x = 0, 0.5, 1.0, and 1.5) were synthesized via elemental reactions within a Pyrex tube, followed by densification through hot pressing. X-ray diffraction analysis confirmed that the Mg3-xZnxSb2 phases retain the same Pm1 space group as the pristine Mg3Sb2 phase. The strategic substitution of Zn improved the power factor via band convergence and reduced lattice thermal conductivity by introducing point defect phonon scattering. This led to a peak zT of 0.5 at 725 K, with an average zT of 0.25 across the 325-725 K range. Enhancement in carrier concentration was achieved by doping Ag onto the Zn site, culminating in a peak zT of 0.95 at 725 K and an average zT of 0.46 between 325 and 725 K for the Mg2Zn0.97Ag0.03Sb2 sample. This performance surpasses that of most p-type Mg3Sb2-based materials, markedly advancing the potential for Mg3Sb2-based materials in midtemperature heat recovery thermoelectric generators.

Boosting the Thermoelectric Properties of Ge0.94Sb0.06Te via Trojan Doping for High Output Power.

GeTe stands as a promising lead-free medium-temperature thermoelectric material that has garnered considerable attention in recent years. Suppressing carrier concentration by aliovalent doping in GeTe-based thermoelectrics is the most common optimization strategy due to the intrinsically high Ge vacancy concentration. However, it inevitably results in a significant deterioration of carrier mobility, which limits further improvement of the zT value. Thus, an effective Trojan doping strategy via CuScTe2 alloying is utilized to optimize carrier concentration without intensifying charge carrier scattering by increasing the solubility of Sc in the GeTe system. Because of the high doping efficiency of the Trojan doping strategy, optimized hole concentration and high mobility are obtained. Furthermore, CuScTe2 alloying leads to band convergence in GeTe, increasing the effective mass m* in (Ge0.84Sb0.06Te0.9)(CuScTe2)0.05 and thus significantly improving the Seebeck coefficient throughout the measured temperature range. Meanwhile, the achievement of the ultralow lattice thermal conductivity (κL ∼ 0.34 W m-1 K-1) at 623 K is attributed to dense point defects with mass/strain-field fluctuations. Ultimately, the (Ge0.84Sb0.06Te0.9)(CuScTe2)0.05 sample exhibits a desirable thermoelectric performance of zTmax ∼ 1.81 at 623 K and zTave ∼ 1.01 between 300 and 723 K. This study showcases an effective doping strategy for enhancing the thermoelectric properties of GeTe-based materials by decoupling phonon and carrier scattering.

Reversible Tuning Electrical Properties in Ferroelectric SnS with NH3 Adsorption and Desorption.

Two-dimensional (2D) ferroelectrics usually exhibit instability or a tendency toward degradation when exposed to the ambient atmosphere, and the mechanism behind this phenomenon remains unclear. To unravel this affection mechanism, we have undertaken an investigation utilizing NH3 and two-dimensional ferroelectric SnS. Herein, the adsorption and desorption of NH3 molecules can reversibly modulate the electrical properties of SnS, encompassing I-V curves and transfer curves. The response time for NH3 adsorption is approximately 1.12 s, which is much quicker than that observed in other two-dimensional materials. KPFM characterizations indicate that air molecules' adsorption alters the surface potentials of SiO2, SnS, metal electrodes, and contacts with minimal impact on the electrode contact surface potential. Upon the adsorption of NH3 molecules or air molecules, the hole concentration within the device decreases. These findings elucidate the adsorption mechanism of NH3 molecules on SnS, potentially fostering the advancement of rapid gas sensing applications utilizing two-dimensional ferroelectrics.

A Simulation Study for Enhancing the Performance of Luminescent Organic Transistor Using Reduced Voltage and Hole Blocking Layer

Abstract Eco-friendly and biodegradable technology forms the basis of organic electronics. A luminescent organic transistor (LOT) is a device created using this technology, which is capable of emission of light and acting as switch functions in a single unit. This research seeks to develop and model a nonplanar contact heterostructure-based LOT by employing the defect density of states (DOS) to accurately simulate the amorphous nature of organic semiconductors. This study evaluates two high-k dielectric materials, hafnium oxide (HfO2) and poly(vinylidene fluoride-trifluoroethylene)P(VDF-TrFe), to achieve low-voltage operation at (-10V). Furthermore, this study investigated the influence of a hole blocking material, 1,3,5-Tris(3-pyridyl-3-phenyl)benzene(TmPyPB), on device performance. Simulations revealed p-channel transistor characteristics with a maximum source-drain current of (-1.6 mA) and an on-off current ratio exceeding 104 for HfO2, compared to (-0.75 mA) and approximately 104 for P(VDF-TrFe). The model also demonstrated exceptional electrical properties, including a peak hole mobility of (1.96 cm2 v-1 s-1), a threshold voltage of (-0.85 V), and a sub-threshold voltage of 492 mV/dec in saturation. The recombination zone exhibited an electron concentration of 18.0 cm-3, a hole concentration of 19.3 cm-3, and a Langevin recombination rate of 24.7 cm-3s-1 near the drain electrode. This model serves as an ideal platform for testing newly developed molecules to enhance the performance of luminescent transistor.

Unprecedented Hole Concentration of NiSe2 Electrodes Leading to Hole Degeneration of Entire WSe2 Channels.

Semimetal electrodes for 2D semiconductors have been extensively studied; however, research on p-type semimetals has been limited due to the scarcity of materials that satisfy both high work functions and low resistances. In response, we investigated the behavior of NiSe2 as an electrode. Utilizing a novel co-evaporation method that suppresses oxidation and contamination, we synthesized NiSe2 demonstrating a high work function of 5.53 eV, a low resistance of 5.81 × 10-5 Ω cm, and a record hole concentration exceeding 1023 cm-3. We confirmed that when WSe2 comes into contact with NiSe2, the Fermi level of WSe2 falls below the work function of NiSe2, leading to complete hole degeneration of the channel. This unusual Fermi level alignment correlates with the high hole concentration in NiSe2 and the maximum energy level of its hole pockets. Our research provides new insights into how an electrode's hole concentration affects channel behavior.

A hBN/Ga2O3 pn junction diode.

The development of next-generation materials such as hBN and Ga2O3 remains a topic of intense focus owing to their suitability for efficient deep ultraviolet (DUV) emission and power electronic applications. In this study, we combine p-type hBN and n-type Ga2O3, forming a pseudo-vertical pn hBN/Ga2O3 heterojunction device. Rectification ratios > 105 (300K) and [Formula: see text]400 (475K) are observed and are amongst the highest values reported to date for ultra-thin hBN-based pn junctions. The measured current under forward bias is ~2mA, which we attribute to the shallow Mg acceptor level (60 meV), and 0.2 µA at -10V. Critically, device performance remains stable and highly repeatable after a multitude of temperature ramps to 475K. Capacitance-voltage measurements indicate widening the depletion region under increasing reverse bias voltage and a built-in voltage of 2.34V is recorded. The hBN p-type characteristic is confirmed by Hall effect, a hole concentration of [Formula: see text] cm-3 and mobility of 24.8 cm2/Vs is achieved. Mg doped hBN resistance reduces by >108 compared to intrinsic material. Future work shall focus on the optical emission properties of this material system.

Arsenic-doped HgCdTe: FTIR photoluminescence and photoreflectance spectroscopy study

Photoluminescence (PL) and photoreflectance (PR) spectroscopy were used for the optical study of arsenic doping of HgCdTe grown by molecular beam epitaxy (MBE). Un-doped and arsenic-doped material with cadmium telluride molar fraction x = 0.29 grown under similar conditions and subjected to similar types of annealing was studied. The PL spectra of the un-doped material featured signatures of intrinsic defects associated with mercury vacancy, excessive tellurium, and related complexes. In the arsenic-doped material, optical signatures of these defects appeared to be suppressed. After arsenic activation, shallow (7–8 meV) acceptor levels were found in the material. These were attributed to the dopant activation, which was confirmed with electrical studies showing p-type conductivity with hole concentration ∼1016 cm−3. The studies showed that the actual pattern of arsenic doping in HgCdTe can be indeed screened by intrinsic defects, which are inherent to MBE-grown HgCdTe and tend to interact with the dopant.

Enhanced Schottky barrier engineering in silver-doped TiO2/p-Si heterojunctions: Insights into electrical behavior and charge carrier dynamics

Heterojunctions were fabricated through the deposition of silver-doped Titanium dioxide (Ag–TiO2) onto p-type crystalline silicon, employing the sol-gel technique. Electrical characterization was conducted with varying Ag concentrations. The investigation revealed that the Schottky barriers at each interface (Ag/TiO2 and Si/Ag), along with the built-in potential at the TiO2/p-Si junction, increase proportionally with the Ag concentration. This observed trend was attributed to the reduction in the TiO2 bandgap due to Ag incorporation, resulting in a concurrent shift in both valence and conduction bands. Consequently, there is a growth of the conduction energy discontinuity and a reduction in the valence one, facilitating hole diffusion while impeding electron transfer across the depletion layer. Furthermore, the introduction of Ag leads to a decrease in both electron and hole concentrations. However, Ag incorporation within the TiO2 matrix manifests as nanoparticles and clusters, resulting in a nonhomogeneous distribution of charge carriers across the sample. Impedance analysis indicates an increase in device resistance and a decrease in effective capacitance.