Ionization Threshold Energy Research Articles

Temperature dependent characteristics of submicron GaAs avalanche photodiodes obtained by a nonlocal analysis

In this paper, using a nonlocal analysis we have extracted the temperature dependent ionization coefficients and threshold energies of submicron GaAs avalanche photodiodes (APDs) with multiplication region thicknesses as narrow as 49 nm, from electron and hole injection photo-multiplication processes. These extracted parameters have been used to predict the temperature dependence of APDs characteristics, such as mean gain, 3 dB-bandwidth, gain-bandwidth product, excess noise factor, performance factor, and breakdown field, over a temperature range of 20 K to 290 K. In the nonlocal analysis we have taken the effects of nonuniform electric filed within the multiplication region and its surrounding depletion regions, injected carrier’s initial ionization energy, carrier’s spatial ionization rate as well as the carrier’s dead space and its previous ionization history into account. We have shown that our predicted gain values are in excellent agreement with existing experimental data measured by others.

Numerical simulation of super-short pulsed discharge in helium with particle-in-cell Monte Carlo collisions technique

This paper reports that a simulation of glow discharge in pure helium gas at the pressure of 1.333 × 103 Pa under a high-voltage nanosecond pulse is performed by using a one-dimensional particle-in-cell Monte Carlo collisions (PIC-MCC) model. Numerical modelling results show that the cathode sheath is much thicker than that of anode during the pulse discharge, and that there exists the phenomenon of field reversal at relative high pressures near the end of the pulse, which results from the cumulative positive charges due to their finite mobility during the cathode sheath expansion. Moreover, electron energy distribution function (EEDF) and ion energy distribution function (IEDF) have been also observed. In the early stage of the pulse, a large amount of electrons can be accelerated above the ionization threshold energy. However, in the second half of the pulse, as the field in bulk plasma decreases and thereafter the reverse field forms due to the excessive charges in cathode sheath, although the plasma density grows, the high energy part of EEDF decreases. It concludes that the large volume non-equilibrium plasmas can be obtained with high-voltage nanosecond pulse discharges.

A calculation of backscattering factor database for quantitative analysis by Auger electron spectroscopy

A systematic calculation of the backscattering factor in quantitative analysis by Auger electron spectroscopy has been performed for the primary electron beam of energy from the threshold energy of inner-shell ionization to 30 keV at the incident angle of 0°–89° and for principal Auger transition and Auger electrons emitted from over 28 pure elements at an emission angle of 0°–89° by using a Monte Carlo simulation method. The calculation employs a general definition of backscattering factor, Casnati’s ionization cross section, up-to-date Monte Carlo model of electron scattering, and a large number of electron trajectories to ensure less statistical error. Both the configuration geometry of concentric hemispherical analyzer and the cylindrical mirror analyzer for Auger electron detection are considered in the calculation. The calculated backscattering factors are found to describe very well an experimental dependence of Auger electron intensity on primary energy and on incident angle for Si, Cu, Ag, and W in literature. The calculated numerical values of backscattering factor are stored in an open and online database at http://micro.ustc.edu.cn/BSFDataBase/BFAES.htm.

Ionization Energy Thresholds of Microhydrated Adenine and Its Tautomers

In the present work the vertical and adiabatic ionization energy thresholds (IET) of adenine, and its amino and imino tautomers complexed with 1-3 water molecules are presented. The vertical and adiabatic IETs have been calculated at the B3LYP and P3 levels of theory, using the standard 6-31++G(d,p) basis set. The results show that there is hardly any effect of microhydration on the vertical DeltaIET of adenine, which is at odds with the experimental values determined by Kim et al. (J. Phys. Chem. 1996, 100, 7933). In an attempt to assign the experimental DeltaIET values, calculations have been performed on the microhydrated amino and imino tautomers of adenine. Vertical DeltaIET calculations and adiabatic DeltaIET calculations on adenine N7H tautomers complexed with water are in better agreement with the experimental results than are calculations involving the canonical (N9H) form of adenine.

Substrate current enhancement in 65 nm metal-oxide-silicon field-effect transistor under external mechanical stress

An approach to get uniaxial tensile stress from the channel by using strained silicon to enhance drain current and mobility was developed. A 65 nm metal-oxide-semiconductor field-effect transistor (MOSFET) was bent by applying external mechanical stress. The drain current and transconductance of the transistor were found to increase 15% and 20%, respectively. In this paper, the behaviors of the substrate current and the impact ionization rate are also investigated. It was found that the substrate current and gate voltage corresponding to the maximum impact ionization current have significantly increased by increasing external mechanical stress. According to the relationship to the strain-induced mobility enhancement, the increase in impact ionization efficiency resulted from the decrease in threshold energy for impact ionization which was due to the narrowing of the bandgap.

Electronic structure of frontier states in an evaporated thin film of a highly amphoteric and polar molecule

{4-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]cyclohexa-2,5-dien-1-ylidene}malononitrile (BMDCM) is designed toward a highly amphoteric and polar molecule (HAPM). Its electron donating and accepting abilities in the solid state were examined from the measurements of its electronic structure using ultraviolet photoemission spectroscopy (UPS) and inverse photoemission spectroscopy (IPES): The threshold ionization energy I s th and electron affinity A s th in the solid state were determined to be 5.1 ± 0.1 5 and 3.5 ± 0.4 eV, respectively. These values turn out to be comparable to the corresponding values of typical donor or acceptor compounds, indicating high abilities in both electron donating and accepting nature of BMDCM. The origin of such a nature of BMDCM is discussed in terms of aromatic stabilization in its ionic states.

Ultraviolet photoelectron spectroscopy and inverse photoemission spectroscopy of [6,6]-phenyl-C61-butyric acid methyl ester in gas and solid phases

The electronic structure of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) was studied using ultraviolet photoelectron spectroscopy of vapor and thin film and inverse photoemission spectroscopy of thin film. The threshold ionization energy of PCBM was found to be 7.17±0.04 eV in gas phase and 5.96±0.02 eV in solid phase. The threshold electron affinity was 3.9±0.1 eV in solid phase. These values are 0.4−0.6 eV smaller than C60. The density functional theory calculations gave consistent results with these trends and suggested that the electron donation from the side chain to C60 backbone raised the C60-backbone-derived π orbitals of PCBM. The polarization energy of PCBM is 1.21 eV, which is almost the same as C60 but is about 0.5 eV smaller than the value of typical aromatic hydrocarbons.

Theoretical Elucidation of Conflicting Experimental Data on Vertical Ionization Potentials of Microhydrated Thymine

In a recent article we reported calculations of the ionization energy thresholds (IET) of microhydrated thymine (Close; et al. J. Phys. Chem. A, 2006, 110, 7485). Calculations showed a distinct effect of microhydration on the IET's of thymine. The first water molecule was seen to decrease the IET by about 0.1 eV, and the second and third water molecules caused a further decrease of less than 0.1 eV each. These changes in IET calculated for the canonical form of thymine with 1-3 waters of hydration are smaller than the experimental values determined by Kim et al. (J. Phys. Chem. C 1996, 100, 7933). In the present study it has been shown that there is considerable reorientation of the water molecules in microhydrated thymine upon ionization. This leads to the expectation that the experimental ionization energies may therefore represent an adiabatic process. The results presented here show that the changes in experimental ionization energies determined by Kim et al. for microhydrated thymine are in good agreement with the calculated adiabatic ionization energies.

A Theoretical Model for the HgCdTe Electron Avalanche Photodiode

A ballistic model is presented for electron avalanche multiplication in the conduction band of HgCdTe, based upon the concept of an optical phonon limited mean free path for the electron, λ e. The model predicts avalanche gain as a function of applied bias voltage V, and a threshold voltage for impact ionization V th. Impact ionization probabilities are calculated analytically using a simplified band structure model for HgCdTe and used to estimate values for the threshold energy for impact ionization. A simple ballistic model is developed to correlate the relationship between electron energy and applied bias voltage, based upon the relevant electron scattering mechanisms in HgCdTe. A comparison with published gain–voltage data suggests that the process is limited by optical phonon scattering, and the relationship between electron energy and applied bias voltage, for a uniform electric field F = V/W, across a diode depletion width W, is given by E = α(E)V, where α(E) = [λ e(E)/W]. For high electron energies λ e(E) is independent of E and α(E) depends only on the dielectric parameters of the material. Using this simple model it is easy to predict electron avalanche gain versus voltage for any parametric combination of diode geometry, bandgap, and operating temperature.

Avalanche Noise Characteristics in Submicron InP Diodes

We report excess noise factors measured on a series of InP diodes with varying avalanche region thickness, covering a wide electric field range from 180 to 850 kV/cm. The increased significance of dead space in diodes with thin avalanche region thickness decreases the excess noise. An excess noise factor of F = 3.5 at multiplication factor M = 10 was measured, the lowest value reported so far for InP. The electric field dependence of impact ionization coefficients and threshold energies in InP have been determined using a non-local model to take into account the dead space effects. This work suggests that further optimization of InP separate absorption multiplication avalanche photodiodes (SAM APDs) could result in a noise performance comparable to InAlAs SAM APDs.

Modes of rf capacitive discharge in low-pressure sulfur hexafluoride

This paper presents the results of an experimental study of rf capacitive discharge in low-pressure SF6. The rf discharge in SF6 is shown to exist not only in weak-current (α-) and strong-current (γ-) modes but also in a dissociative δ-mode. This δ-mode is characterized by a high degree of SF6 dissociation, high plasma density, electron temperature and active discharge current, and it is intermediate between α- and γ-modes. The δ-mode appears due to a sharp increase in the dissociation rate of SF6 molecules via electron impact starting after a certain threshold value of rf voltage. At the same time the threshold ionization energy of SFx (x = 1–5) radicals formed is below the ionization potential of SF6 molecules. The double layer existing in the anode phase of the near-electrode sheath is shown to play an important role in sustaining the α- mode as well as the δ-mode but it is not a cause of the rf discharge transition from α- to δ-mode.

Dry etching of CuCrO 2 thin films

Highly conducting films of p-type CuCrO 2 are attractive as hole-injectors in oxide-based light emitters. In this paper, we report on the development of dry etch patterning of CuCrO 2 thin films. The only plasma chemistry that provided some chemical enhancement was Cl 2/Ar under inductively coupled plasma conditions. Etch rates of ∼500 Å min −1 were obtained at chuck voltages around −300 V and moderate source powers. In all cases, the etched surface morphologies were improved relative to un-etched control samples due to the smoothing effect of the physical component of the etching. The threshold ion energy for the onset of etching was determined to be 34 eV. Very low concentrations (≤1 at.%) of residual chlorine were detected on the etched surfaces but could be removed by simple water rinsing.

Etching mechanisms of HfO2, SiO2, and poly-Si substrates in BCl3 plasmas

B Cl 3 based plasmas exhibit promising plasma chemistries to etch high-k materials and, in particular, HfO2, with a high selectivity over SiO2 and Si substrates. The authors report on the mechanisms involved in the etching of HfO2, SiO2, and poly-Si substrates in BCl3 plasmas. X-ray photoelectron spectroscopy analyses help in understanding the mechanism driving the high etch selectivity between HfO2 and silicon-containing substrates. The ion energy plays an important role in the etching mechanisms since it controls a transition between a BCl-like deposition on the substrate and its etching by ionic bombardment. The ion energy threshold above which etching occurs is different from one substrate to another, being lower for HfO2 than for Si substrates. Indeed, BClx deposition forms more easily on poly-Si or SiO2 rather than on HfO2 surfaces, because boron reacts with Si atoms to form Si–B bonds initiating the growth of BClx polymer on Si-containing surfaces, while on HfO2 surfaces, boron is directly involved in the etching and reacts with oxygen to form volatile BOCl etch products.

Theoretical analysis of breakdown probabilities and jitter in single-photon avalanche diodes

A simple random ionization path length model is used to investigate the breakdown probabilities and jitter in single photon avalanche diodes (SPADs) with submicron multiplication widths. The simulation results show that increasing the multiplication width may not necessarily increase the breakdown probability relative to the breakdown voltage, as the effect of dead space becomes more dominant in thinner multiplication regions at realistic ionization threshold energies for GaAs. On the other hand, reducing the multiplication width results in smaller breakdown time and jitter, despite the increased dead space. The effect of dead space in degrading breakdown time and jitter is relatively weak and further compensated by the stronger influence of large feedback ionization at high fields. Thus, SPAD designs that can minimize the dark count rate may potentially benefit from enhanced breakdown probability, breakdown time, and jitter by reducing the thickness of the multiplication region.

Ultraviolet photoelectron spectroscopy study of the thermochromic phase transition in urethane-substituted polydiacetylenes

Threshold solid-state ionization energies determined from ultraviolet photoelectron spectra are reported for the thermochromic polydiacetylenes (PDAs) from the bis-ethyl- and bis-n-propyl urethanes of 5,7-dodecadiyn-1,12-diol (ETCD and PUDO, respectively) and the nonthermochromic 1,6-bis-p-toluenesulfonate of 2,4-hexadiyne-1,6-diol (PTS) at temperatures above and below the thermochromic phase transition. PDA-PTS has an ionization energy of 5.66 eV which does not change significantly as the temperature is raised above 140 degrees C. At 25 degrees C, PDA-ETCD and PDA-PUDO have threshold ionization energies of 5.65 and 5.51 eV, respectively. The ionization energies of these PDAs increase by approximately 0.34 eV as temperature is raised above 140 degrees C and returns to the lower values as temperature is reduced to 25 degrees C. The magnitude of the increase in ionization energy on heating to temperatures above the thermochromic transition is very close to the shift in energy of the electronic spectrum over the same temperature range. These observations suggest that the structural changes that take place in the course of the thermochromic transition are primarily associated with the valence band and are consistent with partial relief of mechanical strains.

Effects of radial relaxation and intershell correlations during resonance inelastic photon scattering by an atom

The absolute value and shape of the double differential cross section of the resonance inelastic scattering of a linearly polarized photon in the ionization threshold energy range of the subvalence s shell of the free neon or argon atom are calculated in the nonrelativistic approximation for one-electron wavefunctions and in the dipole approximation for the anomalously dispersive scattering probability amplitude. The effects of radial relaxation, intershell correlations, bremsstrahlung, spin-orbit splitting, and a finite decay width of s vacancies are taken into account. The effects of radial relaxation and intershell correlations substantially affect the near-threshold scattering intensity: they decrease the contribution of the leading Compton anomalously dispersive component of the total cross section calculated in the one-electron approximation by several times. The calculation results have a predictive character.

Synthesis of cubic boron nitride films with mean ion energies of a few eV

The lowest threshold energy of ion bombardment for cubic boron nitride (cBN) film deposition is presented. cBN films are prepared on positively biased Si (100) substrates from boron trifluoride (BF3) gas in the high-density source region of an inductively coupled plasma with mean ion impact energies from 45 down to a few eV or less. The great decrease in the threshold ion energy is mainly attributed to specific chemical effects of fluorine as well as high ion-to-boron flux ratios. The results show evidence for the existence of a way to deposit cBN films through quasistatic chemical processes under ultralow-energy ion impact.

Theoretical estimation of the ionization potential of water in condensed phase. II. Superficial water layers

Quantum chemical calculations of neutral and charged (H2O) n water clusters modeling fragments of a real hydrogen-bond network of water and dynamic simulations of the clusters either upon the electron removal from a stable neutral cluster or upon the excitation of various cluster vibrations enabled us to distinguish separate stages of the structure reorganization. Thermal motion of molecules in a liquid modeled by the low-frequency rotational vibrations and swinging of molecules prevents the formation of cations with the optimum mutual arrangement of the OH radical and H3O+ ion. Judging from the typical periods of reactive vibrations and those motions, which impede the desired structure reorganization, the most probable should be the formation of OH…H2O…H3O+ fragments in liquid water. The energy necessary for the ionization of superficial water layers (at the irradiation) can be estimated from the intermediate ionization potentials of water clusters. Extrapolating the dependence of these potentials on the number of water molecules constituting the cluster provided the first ever theoretical estimate of the threshold ionization energy of water: 9.5 eV.

Ab Intio Based Potential Energy Surfaces and Franck−Condon Analysis of Ionization Thresholds of Cyclic-C3H and Linear-C3H

We report a Franck-Condon analysis in reduced dimensionality of the ionization thresholds of linear(l)-C3H and cyclic(c)-C3H using MP2-based potential energy surfaces and CCSD(T)/aug-cc-pVTZ calculations of electronic energies at selected geometries. The potential energy surfaces are fits to tens of thousands of MP2/aug-cc-pVTZ energies for the neutral and cation systems. These fits properly describe the invariance of the potential with respect to all permutations of the three C atoms. The realism of the potential surfaces is assessed by comparing stationary-point structures, energies, and normal-mode frequencies with previous high-level ab initio calculations. Several key vibrational modes in this ionization process are located at saddle points and so a numerical approach to obtain the Franck-Condon factors for those modes is done. On the basis of this analysis combined with a simple harmonic treatment of the energies of the remaining modes and key electronic energy differences obtained with CCSD(T)/aug-cc-pVTZ calculations, we find the threshold ionization energy of l-C3H to be 9.06 eV and for c-C3H we estimate the threshold to be in the range 9.70-9.76 eV. We estimate these values are accurate to within +/-0.05 eV.

Temperature effect on impact ionization characteristics in metamorphic high electron mobility transistors

Comprehensive studies of temperature-dependent gate-metal-related impact ionization in metamorphic high electron mobility transistors (MHEMTs) are demonstrated. It is known that, from experimental results, the electric field and temperature dependences of impact ionization mechanisms in MHEMT’s operation are dominated by the ionization threshold energy and hot electron population. The peak impact ionization-induced gate current could be substantially decreased by the presence of specific gate contact with a higher Schottky barrier height. Therefore, the suppressions of bell-shaped behavior and related impact ionization effect are observed by using the appropriate Schottky gate contacts.