Microscopic simulation of electronic noise in semiconductormaterials and devices

We present a microscopic interpretation of electronic noise in semiconductor materials and two-terminal devices. The theory is based on Monte Carlo simulations of the carrier motion self-consistently coupled with a Poisson solver. Current and voltage noise operations are applied and their respective representations discussed. As application we consider the cases of homogeneous materials, resistors, n⁺nn ⁺ structures, and Schottky-barrier diodes. Phenomena associated with coupling between fluctuations in carrier velocity and self-consistent electric field are quantitatively investigated for the first time. At increasing applied fields hot-carrier effects are found to be of relevant importance in all the cases considered here. As a general result, noise spectroscopy is found to be a source of valuable information to investigate and characterize transport properties of semiconductor materials and devices     

Oxidation of Cyclohexane by Molecular Oxygen Photoassisted by meso-Tetraarylporphyrin Iron(III)-Hydroxo Complexes

The photochemical and photocatalytic properties of iron meso-tetraarylporphyrins bearing an OH(-) axial ligand and different substituents in the beta-positions of the porphyrin ring are reported. Irradiation (lambda = 365 nm) in the absence of dioxygen leads to the reduction of Fe(III) to Fe(II) with the formation of OH(*) radicals. Substituents at the pyrrole beta-positions are found to markedly affect the photoreduction quantum yields. Under aerobic conditions, this photoreaction can induce the subsequent oxidation of cyclohexane to cyclohexanone and cyclohexanol by O(2) itself. The process occurs under mild conditions (22 degrees C; 760 Torr of O(2)) and without the consumption of a reducing agent. The polarity of the solvent and the nature of the porphyrin ring have a remarkable effect on the selectivity of the photooxidation process, likely controlling the cleavage of O-O bonds of possible iron peroxoalkyl intermediates. In particular, in pure cyclohexane, oxidation occurs with the selective formation of cyclohexanone; in contrast, in dichloromethane/cyclohexane mixed solvent, the main oxidation product is cyclohexanol. Phenyl-tert-butylnitrone (pbn) has been found to quench the radical chain autooxidation of the substrate thus increasing the yield of cyclohexanol. This becomes the only oxidation product when iron 5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin hydroxide (Fe(III)(TDCPP)(OH)) is used as photocatalyst.     

Noise and correlation functions of hot carriers in semiconductors

We present a unifying theory of electronic noise appropriate to semiconductor materials in the presence of electric fields of arbitrary strength. In addition to thermal noise, a classification scheme for excess noise indicating different microscopic sources of fluctuations responsible for number and mobility fluctuations is provided. On the basis of simple two-level models, numerical calculations using a Monte Carlo technique are performed for the case of p-type Si at 77 K. The primary quantity which is evaluated by the theory is the auto-correlation function of current fluctuations which, subsequently, is analyzed in terms of correlation functions of the relevant physical variables. Accordingly, the corresponding current spectral-densities are determined and then compared with direct experimental results and/or analytical expressions. Important subjects which have been investigated are: (i) the effect of field assisted ionization on generation-recombination noise from shallow impurity levels; (ii) the contribution to the total noise spectrum of cross-correlation terms coupling fluctuations in velocity with those in energy and number; (iii) the current random telegraph signal and the corresponding spectral density associated with a mobility fluctuator. In all cases the numerical calculations are found to be in satisfactory agreement with experiments and/or analytical expressions thus fully supporting the physical reliability of the theoretical approach here proposed.List of the Symbols Used e Absolute value of the electron charge - f Frequency - f Distribution function - g ₁ Scattering strength with the scatter in state 1 - g ₂ Scattering strength with the scatter in state 2 - Reduced Planck constant - j Total current density - j _c Conduction current density - j _d Displacement current density - j _x Component along the x direction of the total current density - k Carrier wavevector - m Carrier effective mass - m ₀ Free electron mass - r Position vector - s Average sound velocity - t Time - u Fraction of ionized carriers - u _i Random telegraph signal related to carrier state - u _m Random telegraph signal related to scatterer state - v _d Ensemble average of the free carrier drift-velocity - v _i Carrier group velocity - v _t Ensemble average of the carrier velocity in the direction transverse to the applied field - v _ix Component along the x direction of the carrier group velocity - v _d ^r Ensemble average of the reduced drift-velocity - v ^r _i Reduced velocity component in the field direction of the i-th particle - v _ix ^j Reduced velocity component along the x axis of the i-th particle in band j - v ^r _ix Reduced velocity component along the x axis of the i-th particle - x _d Ensemble average of the carrier displacement along the x direction from the initial position - x _i Displacement along the x direction of the i-th carrier from the initial position - y _i i-th stochastic parameter - A Cross-sectional area of a homogeneous sample - C _I Auto-correlation function of the total current fluctuations - Auto-correlation function of the total current fluctuations due to mobility fluctuations - D Diffusion coefficient - D _t K Optical deformation potential - E Electrical field strength - E Electric field - E _x Component of the electric field along the x direction - E ₁ ⁰ Acoustic deformation potential - G Conductance - I Total current - I ₀ Total current in the voltage noise operation - I _m Total current associated with mobility fluctuations - I ^V Total current in the current noise operation - K _B Boltzmann constant - L Length of a homogeneous sample - N Number of free carriers which are instantaneously present in the device - N _A Acceptor concentration - N _I Total number of carriers inside the device participating in the transport (here assumed to be constant in time) - N _T Total number of carriers which are instantaneously present in the device - S _I Spectral density of current fluctuations - S _V Spectral density of voltage fluctuations - Spectral density of current fluctuations associated with the mobility fluctuations - Spectral density of current fluctuations due to correlations between fluctuations in number and velocity - Spectral density of current fluctuations due to generation-recombination processes - Spectral density of current fluctuations due to free carrier drift-velocity fluctuations - S _I ^l Longitudinal component with respect to the applied field of the current spectral-density - S _I ^t Transverse component with respect to the applied field of the current spectral-density - T Absolute temperature - T _e Electron temperature - V Electrical potential - V ^I Electrical potential in the voltage noise operation - W Collision rate - Z Small signal impedance - Poole-Frenkel factor - Equilibrium generation rate - _E Field dependent generation rate - Typical energy for thermally escaping from the impurity level - v _d ⁽⁰⁾ Fluctuation of the ensemble average of the driftvelocity associated with Brownian-like motion - v _d ^r(0) Fluctuation of the ensemble average of the reduced drift-velocity associated with Brownian-like motion - Carrier energy - ₀ Vacuum permittivity - _a Energy of the acceptor level - _r Relative static dielectric constant - Angle between initial and final k states - _op Optical phonon equivalent temperature - Mobility - ₀ Chemical potential - ₁ Mobility with the fluctuating scatterer in state 1 - ₂ Mobility with the fluctuating scatterer in state 2 - ₀ Crystal density - _E Field dependent volume recombination rate - _eq Equilibrium volume recombination rate - Conductivity - _g Cross-section for impact ionization - _c Average scattering time - _g Generation time - _l Carrier lifetime - _m Scatterer lifetime - _m1 Mean value of the time spent by the fluctuating scatterer in state 1 - _m2 Mean value of the time spent by the fluctuating scatterer in state 2 - _r Average recombination time - _T Transit time - Scattering rate - _AB Correlation function of the two variables A and B     

Direct Monte Carlo simulation of hot-carrier conductivity

We present a Monte Carlo procedure which, by including the mechanism of generation and recombination from impurity centers, enables us to calculate directly from the simulation the field dependent conductivity for the first time. The reliability of the theoretical model has been checked by comparing numerical results with experiments provided by the Montpellier group and performed on p-Si at different acceptor concentrations and temperatures.     

Intensity distortion induced by cross-phase modulation andchromatic dispersion in optical-fiber transmissions with dispersioncompensation

In dispersion compensated systems, the intensity distortion induced by the interplay between cross-phase modulation and fiber chromatic dispersion can be a primary cause of transmission degradation. This interplay is mostly studied by time-consuming computer simulations. This letter introduces a new model of this interplay in fiber transmissions with dispersion compensation, leading to a linear filter that, applied to the input intensity of a modulated interfering channel, gives the intensity distortion of a continuous-wave probe signal at the receiver. The model can be of significant value in the search for optimized dispersion maps     

First-principle calculation of the recombination cross-section assisted by acoustic phonons at shallow impurities in semiconductors

Summary An original Monte Carlo study of the equilibrium microscopic and macroscopic recombination cross-sections at shallow impurity centres is presented. Both cross-sections are investigated in lightly dopedp-Si as functions of the temperature and ionized acceptor concentration. In order to treat generation-recombination processes we extend the semi-classical Boltzmann equation through a simulation of the carrier motion in the energy-configuration space of an impurity centre. The analysis of the scattering rates as a function of the total carrier energy enables a microscopic interpretation of the capture process to be carried out. The role of excited levels is naturally included and found to be of main importance at increasing lattice temperatures. Numerical results are then compared with available experiments and existing analytical calculations.     

13C/15N-19F intermolecular REDOR NMR study of the interaction of TAR RNA with Tat peptides

The complex of the HIV TAR RNA with the viral regulatory protein Tat is of considerable interest, but the plasticity of this interaction has made it impossible so far to establish the structure of that complex. In order to explore a new approach to obtain structural information on protein-RNA complexes, we performed (13)C/(15)N-(19)F REDOR NMR experiments in the solid state on TAR bound to a peptide comprising the RNA-binding section of Tat. A critical arginine in the peptide was uniformly (13)C and (15)N labeled, and 5-fluorouridine was incorporated at the U23 position of TAR. REDOR irradiation resulted in dephasing of the (13)C and (15)N resonances, indicating the proximity of the U23(5F)-C and U23(5F)-N spin pairs. Best fits to the REDOR data show the U23(5F)-C distances and the U23(5F)-N distances are in good agreement with the distances obtained from solution NMR structures of partial complexes of Tat with TAR. These results demonstrate that it is possible to study protein-RNA complexes using solid-state REDOR NMR measurements, adding to a growing list of solid state techniques for studying protein-nucleic acid complexes.