Semiconductor Device Models Constructed Using Simple Elements and Auxiliary Dynamics .
Abstract not provided.
Hembree, Charles↗
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Predictive Models for Semiconductor Device Design and Processing
The device feature size continues to be on a downward trend with a simultaneous upward trend in wafer size to 300 mm. Predictive models are needed more than ever before for this reason. At NASA Ames, a Device and Process Modeling effort has been initiated recently with a view to address these issues. Our activities cover sub-micron device physics, process and equipment modeling, computational chemistry and material science. This talk would outline these efforts and emphasize the interaction among various components. The device physics component is largely based on integrating quantum effects into device simulators. We have two parallel efforts, one based on a quantum mechanics approach and the second, a semiclassical hydrodynamics approach with quantum correction terms. Under the first approach, three different quantum simulators are being developed and compared: a nonequlibrium Green's function (NEGF) approach, Wigner function approach, and a density matrix approach. In this talk, results using various codes will be presented. Our process modeling work focuses primarily on epitaxy and etching using first-principles models coupling reactor level and wafer level features. For the latter, we are using a novel approach based on Level Set theory. Sample results from this effort will also be presented.
Meyyappan, Meyya↗
Mocha: Multiscale semiconductor quantum device modeling and characterization, QCPR 2025
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Jacobson, Noah Tobias [Sandia National Laboratorie↗
Energy Models for One-Carrier Transport in Semiconductor Devices
Moment models of carrier transport, derived from the Boltzmann equation, made possible the simulation of certain key effects through such realistic assumptions as energy dependent mobility functions. This type of global dependence permits the observation of velocity overshoot in the vicinity of device junctions, not discerned via classical drift-diffusion models, which are primarily local in nature. It was found that a critical role is played in the hydrodynamic model by the heat conduction term. When ignored, the overshoot is inappropriately damped. When the standard choice of the Wiedemann-Franz law is made for the conductivity, spurious overshoot is observed. Agreement with Monte-Carlo simulation in this regime required empirical modification of this law, or nonstandard choices. Simulations of the hydrodynamic model in one and two dimensions, as well as simulations of a newly developed energy model, the RT model, are presented. The RT model, intermediate between the hydrodynamic and drift-diffusion model, was developed to eliminate the parabolic energy band and Maxwellian distribution assumptions, and to reduce the spurious overshoot with physically consistent assumptions. The algorithms employed for both models are the essentially non-oscillatory shock capturing algorithms. Some mathematical results are presented and contrasted with the highly developed state of the drift-diffusion model.
Jerome, Joseph W.↗
Probability Density Function for the spatial and intensity distribution of neutron-induced defects in Silicon
The ability to model semiconductor device degradation under neutron irradiation depends upon having a robust modeling capability for the neutron-induced collision cascades as well as a means to analytically fit the resulting probability distributions of defect production and ionizing energy deposition for purposes of extrapolation to low-probability, high-consequence scenarios. In this paper, the widely-utilized binary collision approximation codes MARLOWE and SRIM are deployed in conjunction with a critical examination of their parameterizations as benchmarked against higher-fidelity molecular dynamics simulations. A simple 3-parameter form described by the Generalized Logistic Distribution is shown to be a good fit to Frenkel pair and ionization intensity distributions in bulk silicon. The BCA codes are then applied to simulate cascades in 5 nm layers of a representative gate-all-around nanosheet transistor, where joint probability distributions of threshold levels of damage to multiple layers are evaluated.
36 MATERIALS SCIENCE↗
Non-Parabolic Hydrodynamic Formulations for the Simulation of Inhomogeneous Semiconductor Devices
Hydrodynamic models are becoming prevalent design tools for small scale devices and other devices in which high energy effects can dominate transport. Most current hydrodynamic models use a parabolic band approximation to obtain fairly simple conservation equations. Interest in accounting for band structure effects in hydrodynamic device simulation has begun to grow since parabolic models cannot fully describe the transport in state of the art devices due to the distribution populating non-parabolic states within the band. This paper presents two different non-parabolic formulations or the hydrodynamic model suitable for the simulation of inhomogeneous semiconductor devices. The first formulation uses the Kane dispersion relationship ((hk)(exp 2)/2m = W(1 + alphaW). The second formulation makes use of a power law ((hk)(exp 2)/2m = xW(exp y)) for the dispersion relation. Hydrodynamic models which use the first formulation rely on the binomial expansion to obtain moment equations with closed form coefficients. This limits the energy range over which the model is valid. The power law formulation readily produces closed form coefficients similar to those obtained using the parabolic band approximation. However, the fitting parameters (x,y) are only valid over a limited energy range. The physical significance of the band non-parabolicity is discussed as well as the advantages/disadvantages and approximations of the two non-parabolic models. A companion paper describes device simulations based on the three dispersion relationships; parabolic, Kane dispersion and power law dispersion.
Smith, A. W.↗
Non-parabolic hydrodynamic formulations for the simulation of inhomogeneous semiconductor devices
Hydrodynamic models are becoming prevalent design tools for small scale devices and other devices in which high energy effects can dominate transport. Most current hydrodynamic models use a parabolic band approximation to obtain fairly simple conservation equations. Interest in accounting for band structure effects in hydrodynamic device simulation has begun to grow since parabolic models can not fully describe the transport in state of the art devices due to the distribution populating non-parabolic states within the band. This paper presents two different non-parabolic formulations of the hydrodynamic model suitable for the simulation of inhomogeneous semiconductor devices. The first formulation uses the Kane dispersion relationship (hk)(exp 2)/2m = W(1 + alpha(W)). The second formulation makes use of a power law ((hk)(exp 2)/2m = xW(sup y)) for the dispersion relation. Hydrodynamic models which use the first formulation rely on the binomial expansion to obtain moment equations with closed form coefficients. This limits the energy range over which the model is valid. The power law formulation readily produces closed form coefficients similar to those obtained using the parabolic band approximation. However, the fitting parameters (x,y) are only valid over a limited energy range. The physical significance of the band non-parabolicity is discussed as well as the advantages/disadvantages and approximations of the two non-parabolic models. A companion paper describes device simulations based on the three dispersion relationships: parabolic, Kane dispersion, and power low dispersion.
Smith, Arlynn W.↗
A unified thermionic and thermionic-field emission (TE–TFE) model for ideal Schottky reverse-bias leakage current
We present a unified thermionic emission (TE) and thermionic-field emission (TFE) model for the ideal reverse-bias leakage current in Schottky junctions. The unified TE–TFE analytical model advances upon previous analytical TFE models by Murphy–Good and Padovani–Stratton, which are the two most widely adopted models by the community, in two major aspects: (i) the applicability of the TFE expression therein is extended to near-zero surface electric fields by an error-function correction, allowing for the calculation of the total current by a nontrivial sum of TE (over-the-barrier current) and TFE (below-the-barrier current) contributions; therefore, an accurate description of the TE-to-TFE transition region is captured analytically for the first time; (ii) image-force lowering is considered with much-simpler correction terms. Comparisons with the reference numerical model show that the unified TE–TFE model has excellent accuracy, as well as a 10 000× reduction in computation time. The unified model is further tested against experimental data from Schottky barrier diodes based on Si, 4H-SiC, GaN, and β-Ga 2 O 3 , revealing accurate extractions of barrier heights and correct descriptions of the ideal reverse leakage characteristics. With the extended applicable range, improved accuracy, and computational efficiency, the unified TE–TFE model is highly valuable for the design and analysis of devices based on Schottky junctions, as well as for potential integration in technology computer-aided design (TCAD) tools.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Numerical simulation of high-efficiency, scalable, all-back-contact Cd(Se,Te) solar cells
In this work, all-back-contact thin film photovoltaic devices in lattice back contact (LBC) configuration are studied by device simulation to set the requirements for achieving efficiency > 20% with lateral contact spacing > 50 µm. The numerical device model is first validated against published data for an LBC perovskite device and extended to predict the performance of Cd(Se,Te)-based polycrystalline devices. Recent advances in the electronic properties of Cd(Se,Te) films have made high efficiency LBC devices feasible with industrially-scalable contact dimensions. Constraints on bulk, interface, and contact properties are quantified and discussed
14 SOLAR ENERGY↗
Slope Efficiency and Voltage Reduction at High Current Densities in AlInGaAs Diode Lasers
Here, the slope efficiency and drive voltage of broad area AlInGaAs laser diodes near 865 nm is observed to decrease significantly under quasi-CW pulsed operation at currents well above threshold, in a manner that cannot be explained by thermal effects or carrier leakage over heterojunction barriers. Simulations show that the slope efficiency reduction is explicable by increased free carrier absorption in the waveguide region. Empirical formulas are presented to represent these effects in a closed analytic form suitable for use in simulators for diode-pumped laser systems.
47 OTHER INSTRUMENTATION↗
A Parallel Multilevel Spectral Element Scheme
A parallel multilevel strategy is developed using spectral (p) finite elements. Hierarchic bases are particularly well suited since the element matrices and vectors are nested and the multilevel projections easiliy performed. Since the basis degree is used to specify the multigrid level, an EBE strategy is natural br the multilevel technique. Results are presented for two candidate nonlinear elliptic transport problems: the augmented drift-diffusion equations of semiconductor device modeling and the stream function-vorticity equations of incompressible fluid dynamics.
Davis, M. B.↗
Smallest Nanoelectronic with Atomic Devices with Precise Structures
Since its invention in 1948, the transistor has revolutionized our everyday life - transistor radios and TV's appeared in the early 1960s, personal computers came into widespread use in the mid-1980s, and cellular phones, laptops, and palm-sized organizers dominated the 1990s. The electronics revolution is based upon transistor miniaturization; smaller transistors are faster, and denser circuitry has more functionality. Transistors in current generation chips are 0.25 micron or 250 nanometers in size, and the electronics industry has completed development of 0.18 micron transistors which will enter production within the next few years. Industry researchers are now working to reduce transistor size down to 0.13 micron - a thousandth of the width of a human hair. However, studies indicate that the miniaturization of silicon transistors will soon reach its limit. For further progress in microelectronics, scientists have turned to nanotechnology to advance the science. Rather than continuing to miniaturize transistors to a point where they become unreliable, nanotechnology offers the new approach of building devices on the atomic scale [see sidebar]. One vision for the next generation of miniature electronics is atomic chain electronics, where devices are composed of atoms aligned on top of a substrate surface in a regular pattern. The Atomic Chain Electronics Project (ACEP) - part of the Semiconductor Device Modeling and Nanotechnology group, Integrated Product Team at the NAS Facility has been developing the theory of understanding atomic chain devices, and the author's patent for atomic chain electronics is now pending.
Yamada, Toshishige↗
Dynamic Load Balancing for Adaptive Unstructured Grids
Dynamic mesh adaptation on unstructured grids is a powerful tool for computing unsteady three-dimensional problems that require grid modifications to efficiently resolve solution features. By locally refining and coarsening the mesh to capture phenomena of interest, such procedures make standard computational methods more cost effective. Highly refined meshes are required to accurately capture shock waves, contact discontinuities, vortices, and shear layers in fluid flow problems. Adaptive meshes have also proved to be useful in several other areas of computational science and engineering like computer vision and graphics, semiconductor device modeling, and structural mechanics. Local mesh adaptation provides the opportunity to obtain solutions that are comparable to those obtained on globally-refined grids but at a much lower cost. Additional information is contained in the original extended abstract.
Biswas, Rupak↗
Simulation of Ultra-Small Electronic Devices: The Classical-Quantum Transition Region
Concern is increasing about how quantum effects will impact electronic device operation as down-scaling continues along the SIA Roadmap through 2010. This document describes part of a new semiconductor device modeling (SDM) program at NAS to investigate these concerns by utilizing advanced NAS and third-party numerical computation software to rapidly implement and investigate electronic device models including quantum effects. This SDM project will investigate quantum effects in devices in the classical-quantum transition region, especially sub-0.1 mm MOSFETs. Specific tasks planned for this project include the use of quantum corrections to the classical drift-diffusion and hydrodynamic models of electron transport, arid the use of nominally quantum models including significant scattering.
Biegel, Bryan A.↗
Nanosecond Transient Validation of Surge Arrester Models to Predict Electromagnetic Pulse Response
The impact of high-altitude electromagnetic pulse events on the electric grid is not fully understood, and validated modeling of mitigations, such as lightning surge arresters (LSAs) is necessary to predict the propagation of very fast transients on the grid. Experimental validation of high frequency models for surge arresters is an active area of research. Further, this article serves to experimentally validate a previously defined ZnO LSA model using four metal-oxide varistor pucks and nanosecond scale pulses to measure voltage and current responses. The SPICE circuit models of the pucks showed good predictability when compared to the measured arrester response when accounting for a testbed inductance of approximately 100 nH. Additionally, the comparatively high capacitance of low-profile arresters show a favorable response to high-speed transients that indicates the potential for effective electromagnetic pulse mitigation with future materials design.
42 ENGINEERING↗
Investigation of advanced fault insertion and simulator methods
The cooperative agreement partly supported research leading to the open-literature publication cited. Additional efforts under the agreement included research into fault modeling of semiconductor devices. Results of this research are presented in this report which is summarized in the following paragraphs. As a result of the cited research, it appears that semiconductor failure mechanism data is abundant but of little use in developing pin-level device models. Failure mode data on the other hand does exist but is too sparse to be of any statistical use in developing fault models. What is significant in the failure mode data is that, unlike classical logic, MSI and LSI devices do exhibit more than 'stuck-at' and open/short failure modes. Specifically they are dominated by parametric failures and functional anomalies that can include intermittent faults and multiple-pin failures. The report discusses methods of developing composite pin-level models based on extrapolation of semiconductor device failure mechanisms, failure modes, results of temperature stress testing and functional modeling. Limitations of this model particularly with regard to determination of fault detection coverage and latency time measurement are discussed. Indicated research directions are presented.
Dunn, W. R.↗
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↗
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↗