Publications

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The classical Drude model provides an accurate description of the plasma resonance of three-dimensional materials, but only partially explains two-dimensional systems where quantum mechanical effects dominate such as P:δ layers - atomically thin sheets of phosphorus dopants in silicon that induce electronic properties beyond traditional doping. Previously it was shown that P:δ layers produce a distinct Drude tail feature in ellipsometry measurements. However, the ellipsometric spectra could not be properly fit by modeling the δ layer as a discrete layer of classical Drude metal. In particular, even for large broadening corresponding to extremely short relaxation times, a plasma resonance feature was anticipated but not evident in the experimental data. In this work, we develop a physically accurate description of this system, which reveals a general approach to designing thin films with intentionally suppressed plasma resonances. Our model takes into account the strong charge-density confinement and resulting quantum mechanical description of a P:δ layer. We show that the absence of a plasma resonance feature results from a combination of two factors: (i) the sharply varying charge-density profile due to strong confinement in the direction of growth; and (ii) the effective mass and relaxation time anisotropy due to valley degeneracy. The plasma resonance reappears when the atoms composing the δ layer are allowed to diffuse out from the plane of the layer, destroying its well-confined two-dimensional character that is critical to its distinctive electronic properties.

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Zyvex Labs has created several p-n junction devices with a variety of gaps between the boron and phosphorus electrodes, from 0-7.7 nm, which are now being measured. We have developed a different contacting process based on palladium disilicide rather than aluminium to improve the reliability of the device contacts. Preliminary measurements indicate that these new contacts are successfully contacting the buried dopant layers, which are intact after the overgrowth process. Modelling of the p-n junction properties has made good progress, with the model matching previous published data, and modelling of n-p-n junction devices has begun. This now awaits experimental validation.

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This manual gives usage information for the Charon semiconductor device simulator. Charon was developed to meet the modeling needs of Sandia National Laboratories and to improve on the capabilities of the commercial TCAD simulators; in particular, the additional capabilities are running very large simulations on parallel computers and modeling displacement damage and other radiation effects in significant detail. The parallel capabilities are based around the MPI interface which allows the code to be ported to a large number of parallel systems, including linux clusters and proprietary “big iron” systems found at the national laboratories and in large industrial settings.

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The Saturn accelerator has historically lacked the capability to measure time-resolved spectra for its 3-ring bremsstrahlung x-ray source. This project aimed to create a spectrometer called AXIOM to provide this capability. The project had three major development pillars: hardware, simulation, and unfold code. The hardware consists of a ring of 24 detectors around an existing x-ray pinhole camera. The diagnostic was fielded on two shots at Saturn and over 100 shots at the TriMeV accelerator at Idaho Accelerator Center. A new Saturn x-ray environment simulation was created using measured data to validate. This simulation allows for timeresolved spectra computation to compare the experimental results. The AXIOM-Unfold code is a new parametric unfold code using modern global optimizers and uncertainty quantification. The code was written in Python, uses Gitlab version control and issue tracking, and has been developed with long term code support and maintenance in mind.

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We present an efficient self-consistent implementation of the Non-Equilibrium Green Function formalism, based on the Contact Block Reduction method for fast numerical efficiency, and the predictor-corrector approach, together with the Anderson mixing scheme, for the self-consistent solution of the Poisson and Schrödinger equations. Then, we apply this quantum transport framework to investigate 2D horizontal Si:P δ-layer Tunnel Junctions. We find that the potential barrier height varies with the tunnel gap width and the applied bias and that the sign of a single charge impurity in the tunnel gap plays an important role in the electrical current.

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The atomic precision advanced manufacturing (APAM) enabled vertical tunneling field effect transistor (TFET) presents a new opportunity in microelectronics thanks to the use of ultra-high doping and atomically abrupt doping profiles. We present modeling and assessment of the APAM TFET using TCAD Charon simulation. First, we show, through a combination of simulation and experiment, that we can achieve good control of the gated channel on top of a phosphorus layer made using APAM, an essential part of the APAM TFET. Then, we present simulation results of a preliminary APAM TFET that predict transistor-like current-voltage response despite low device performance caused by using large geometry dimensions. Future device simulations will be needed to optimize geometry and doping to guide device design for achieving superior device performance.

Thin, high-density layers of dopants in semiconductors, known as δ-layer systems, have recently attracted attention as a platform for exploration of the future quantum and classical computing when patterned in plane with atomic precision. However, there are many aspects of the conductive properties of these systems that are still unknown. Here we present an open-system quantum transport treatment to investigate the local density of electron states and the conductive properties of the δ-layer systems. A successful application of this treatment to phosphorous δ-layer in silicon both explains the origin of recently-observed shallow sub-bands and reproduces the sheet resistance values measured by different experimental groups. Further analysis reveals two main quantum-mechanical effects: 1) the existence of spatially distinct layers of free electrons with different average energies; 2) significant dependence of sheet resistance on the δ-layer thickness for a fixed sheet charge density.

While it is likely practically a bad idea to shrink a transistor to the size of an atom, there is no arguing that it would be fantastic to have atomic-scale control over every aspect of a transistor – a kind of crystal ball to understand and evaluate new ideas. This project showed that it was possible to take a niche technique used to place dopants in silicon with atomic precision and apply it broadly to study opportunities and limitations in microelectronics. In addition, it laid the foundation to attaining atomic-scale control in semiconductor manufacturing more broadly.

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