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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Multi-Dimensional Quantum Effect Simulation Using a Density-Gradient Model and Script-Level Programming Techniques

A density-gradient (DG) model is used to calculate quantum-mechanical corrections to classical carrier transport in MOS (Metal Oxide Semiconductor) inversion/accumulation layers. The model is compared to measured data and to a fully self-consistent coupled Schrodinger and Poisson equation (SCSP) solver. Good agreement is demonstrated for MOS capacitors with gate oxide as thin as 21 A. It is then applied to study carrier distribution in ultra short MOSFETs (Metal Oxide Semiconductor Field Effect Transistor) with surface roughness. This work represents the first implementation of the DG formulation on multidimensional unstructured meshes. It was enabled by a powerful scripting approach which provides an easy-to-use and flexible framework for solving the fourth-order PDEs (Partial Differential Equation) of the DG model.

Rafferty, Connor S.↗
NASA NTRS2003

Microscopic Modeling of Intersubband Optical Processes in Type II Semiconductor Quantum Wells: Linear Absorption

Linear absorption spectra arising from intersubband transitions in semiconductor quantum well heterostructures are analyzed using quantum kinetic theory by treating correlations to the first order within Hartree-Fock approximation. The resulting intersubband semiconductor Bloch equations take into account extrinsic dephasing contributions, carrier-longitudinal optical phonon interaction and carrier-interface roughness interaction which is considered with Ando s theory. As input for resonance lineshape calculation, a spurious-states-free 8-band kp Hamiltonian is used, in conjunction with the envelop function approximation, to compute self-consistently the energy subband structure of electrons in type II InAs/AlSb single quantum well structures. We demonstrate the interplay of nonparabolicity and many-body effects in the mid-infrared frequency range for such heterostructures.

Li, Jian-Zhong↗
NASA NTRS1999

Modeling of THz Lasers Based on Intersubband Transitions in Semiconductor Quantum Wells

In semiconductor quantum well structures, the intersubband energy separation can be adjusted to the terahertz (THz) frequency range by changing the well width and material combinations. The electronic and optical properties of these nanostructures can also be controlled by an applied dc electric field. These unique features lead to a large frequency tunability of the quantum well devices. In the on-going project of modeling of the THz lasers, we investigate the possibility of using optical pumping to generate THz radiation based on intersubband transitions in semiconductor quantum wells. We choose the optical pumping because in the electric current injection it is difficult to realize population inversion in the THz frequency range due to the small intersubband separation (4-40 meV). We considered both small conduction band offset (GaAs/AlGaAs) and large band offset (InGaAs/AlAsSb) quantum well structures. For GaAs/AlGaAs quantum wells, mid-infrared C02 lasers are used as pumping sources. For InGaAs/AlAsSb quantum wells, the resonant intersubband transitions can be excited by the near-infrared diode lasers. For three- and four-subband quantum wells, we solve the pumpfield-induced nonequilibrium distribution function for each subband of the quantum well system from a set of rate equations that include both intrasubband and intersubband relaxation processes. Taking into account the coherent interactions between pump and THz (signal) waves, we calculate the optical gain for the THz field. The gain arising from population inversion and stimulated Raman processes is calculated in a unified manner. A graph shows the calculated THz gain spectra for three-subband GaAs/AlGaAs quantum wells. We see that the coherent pump and signal wave interactions contribute significantly to the gain. The pump intensity dependence of the THz gain is also studied. The calculated results are shown. Because of the optical Stark effect and pump-induced population redistribution, the maximum THz gain saturates at larger pump intensities.

Liu, Ansheng↗
DOE OSTI2023

Demonstrating Safeguards Applications of DRiFT Gas Detector Capabilities [Slides]

DRiFT, a Detector Response Function Toolkit, post-processes MCNP output to model detector response. Three primary components: scintillator (focus of FY 21 TED work), gas detectors (focus of this FY), and semiconductor detectors. Capability to model scintillator detectors has previously been demonstrated.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Effects of Selenium Doping in Zinc Telluride from First Principles

We report point defects and compensation in zinc telluride have been subjects of study for several decades due to the compound’s scientific/technological applications. Despite this, there remains some disagreement in the literature as to the fine details of its defect chemistry. Recently, it has also come under renewed interest due to the emerging Cd( 1–x )Zn x Te( 1–y )Se y material family, used in nuclear radiation detector applications. In this article, we use state-of-the-art computational tools to re-examine the native defect chemistry of ZnTe and explore how it changes upon addition of selenium using density functional theory with screened hybrid exchange–correlation functionals, thermochemical models of the equilibration environment, and statistical mechanics models of the point defect ensemble.

II-VI semiconductors↗
DOE OSTI2021

Spin-orbit enabled quantum transport channels in a two-hole double quantum dot

We analyze experimentally and theoretically the transport spectra of a gated lateral GaAs double quantum dot containing two holes. The strong spin-orbit interaction present in the hole subband lifts the Pauli spin blockade and allows to map out the complete spectra of the two-hole system. By performing measurements in both source-drain voltage directions, at different detunings and magnetic fields, we carry out quantitative fitting to a Hubbard two-site model accounting for the tunnel coupling to the leads and the spin-flip relaxation process. We extract the singlet-triplet gap and the magnetic field corresponding to the singlet-triplet transition in the double-hole ground state. Additionally, at the singlet-triplet transition we find a resonant enhancement (in the blockaded direction) and suppression of current (in the conduction direction). The current enhancement stems from the multiple resonance of two-hole levels, opening several conduction channels at once. The current suppression arises from the quantum interference of spin-conserving and spin-flipping tunneling processes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1980

Frequency response of charge transfer in MOS inversion layers

The dynamics of charge transfer from a reservoir into an MOS inversion layer, which limits the frequency response of an MOS transistor or a charge-coupled device, is investigated. Using Berman and Kerr's model of space-charge capacitance in the semiconductor, a small-signal distributed model is developed for an MOS structure which transfers charge in an inversion channel due to a variation in the gate voltage. The dynamics of the charge transfer is characterized by a time constant which is determined by the length of the inversion channel and its mobility. Experimental data of gate capacitance vs frequency, taken from a test structure with a diffused source/drain well, are satisfactorily fitted by theoretical curves derived from the model. The channel mobility is precisely determined from the adjusted time constant. The influence of interface states on the capacitance-frequency relationship is also briefly discussed.

Lieneweg, U.↗
DOE OSTI2024

Machine Learning-Driven Reliability Estimation of PV Inverters Considering Alert-Ambient Variability

Weather-induced spatio-temporal degradation limits outdoor PV inverter lifetime and reliability, necessitating advanced data analysis. This study employs a top-down, data-driven approach utilizing multiple machine learning (ML) algorithms to estimate inverter reliability in a 1.4 MW PV power plant, considering factors such as irradiance, humidity, temperature, time of day, and weather conditions. An extensive alert dataset from 17 identical inverters, including alert types, propagation, and frequency, reveals significant correlations with environmental factors and inverter output power, enabling the construction of a performance reliability model. Dual-stage supervised-ML models are evaluated for accuracy, with the ‘classification-regression’ model by an artificial neural network (ANN) tested on the averaged “Alert-Ambient” dataset, which is outperformed by ‘clustering-regression’ models using random forest (RF) and K-Nearest Neighbors (KNN) on individual inverter datasets. K-means clustering applies principal component analysis to reduce dimensions, achieving improved accuracy beyond the 80% achieved by ANN on the averaged dataset. Second-stage regression estimates inverter reliability with a mean square error of 0.0195 on the averaged dataset and as low as 0.002 on individual inverter datasets using RF. Furthermore, these findings highlight the method's suitability for estimating PV inverter output reliability under ambient conditions, essential for digital twin development and related applications.

14 SOLAR ENERGY↗
NASA NTRS1998

Computational Modeling of Vertical-Cavity Surface-Emitting Lasers

Vertical-Cavity Surface-Emitting Lasers (VCSELs) have become increasingly important for many applications, such as optical interconnects and optical data storages. In many applications, critical requirements are very often high beam quality and/or high output powers. To help the design and optimization of VCSELs for such applications, it is essential to have a simulation model that includes the time evolution of the transverse space dependence of the hewn. Such models allow arbitrary transverse profiles of laser intensity or carrier density to develop in time without any a priori assumption about the number and types of transverse modes. In addition, extensive research in the past has shown that many-body effects are important in influencing the optical gain and the refractive index of semiconductor quantum wells. It is thus important to include the key many-body effects in simulation models for semiconductor lasers. A computational model, called the Maxwell-Effective Bloch Equations (MEBE) was developed recently that simulates the above features and effects. This model combines the space-time resolution with microscopic many-body effects in a way that is both accurate enough and computationally manageable. This model has been used to simulate edge-emitting high power lasers recently. A new finite-difference algorithm has been developed for solving these equations and will be shown in the presentation. That algorithm will be used to calculate the detailed time evolution of the transverse mode profiles of VCSELs. The VCSELs are based on InGaAs/GaAs quantum well structures. Effects of pumping current and refractive index profiles will be investigated in detail. The simulation results will be compared with other results the use the rate-equation model.

Goorjian, Peter M.↗
NASA NTRS1998

Computational Nonlinear of Vertical-Cavity Surface-Emitting Lasers

Vertical-Cavity Surface-Emitting Lasers (VCSELs) have become increasingly important for many applications, such as optical interconnects and optical data storages. In many applications, critical requirements are very often high beam quality and/or high output powers. To help the design and optimization of VCSELs for such applications, it is essential to have a simulation model that includes the time evolution of the transverse space dependence of the beam. Such models allow arbitrary transverse profiles of laser intensity or carrier density to develop in time without any a priori assumption about the number and types of transverse modes. In addition, extensive research in the past has shown that many-body effects are important in influencing the optical gain and the refractive index of semiconductor quantum wells. It is thus important to include the key many-body effects in simulation models for semiconductor lasers. A computational model, called the Maxwell-Effective Bloch Equations (MEBE) was developed recently that simulates the above features and effects. This model combines the space-time resolution with microscopic many-body effects in a way that is both accurate enough and computationally manageable. This model has been used to simulate edge-emitting high power lasers recently. A new finite-difference algorithm has been developed for solving these equations and will be shown in the presentation. That algorithm will be used to calculate the detailed time evolution of the transverse mode profiles of VCSELs. The VCSELs are based on InGaAs/GaAs quantum well structures. Effects of pumping current and refractive index profiles will be investigated in detail. The simulation results will be compared with other results the use the rate-equation model.

Goorjian, Peter M.↗
DOE OSTI2023

A New Method for the Evaluation of Majority and Minority Carrier Contact Resistivity of Polysilicon on Oxide Contacts

In this contribution we present a novel technique for characterizing the majority and minority carrier contact resistivity in polysilicon on oxide passivating contacts. Traditionally, contact resistivity is measured through the Transfer Length Method (TLM). This method presents difficulties when measuring the minority carrier contact due to the presence of a blocking diode which prevents current flow between the pads. Our novel method is performed by creating a unipolar device which has the same contact on both sides (either symmetric n-type or symmetric p-type) and metalizing the device with a grid on one side, and a full metal contact on the back (the same pattern that will be used in a final cell). We then measure the resistance across the device at increasing illumination. Since the resistivity of the wafer is a function of carrier density, when increasing illumination, the wafer resistivity decreases. We can then fit modeling equations to the measured resistivity and extrapolate the fit to infinite illumination where only the contact resistivity is measured to accurately measure both the minority and majority carrier contact resistivity.

current measurement↗
NASA NTRS1988

Models of second-order effects in metal-oxide-semiconductor field-effect transistors for computer applications

Second-order effects in metal-oxide-semiconductor field-effect transistors (MOSFETs) are important for devices with dimensions of 2 microns or less. The short and narrow channel effects and drain-induced barrier lowering primarily affect threshold voltage, but formulas for drain current must also take these effects into account. In addition, the drain current is sensitive to channel length modulation due to pinch-off or velocity saturation and is diminished by electron mobility degradation due to normal and lateral electric fields in the channel. A model of a MOSFET including these considerations and emphasizing charge conservation is discussed.

Benumof, Reuben↗