Publications

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This report describes an LDRD-supported experimental-theoretical collaboration on the enhanced low-dose-rate sensitivity (ELDRS) problem. The experimental work led to a method for elimination of ELDRS, and the theoretical work led to a suite of bimolecular mechanisms that explain ELDRS and is in good agreement with various ELDRS experiments. The model shows that the radiation effects are linear in the limit of very low dose rates. In this limit, the regime of most concern, the model provides a good estimate of the worst-case effects of low dose rate ionizing radiation.

Mechanisms for enhanced low-dose-rate sensitivity are described. In these mechanisms, bimolecular reactions dominate the kinetics at high dose rates thereby causing a sub-linear dependence on total dose, and this leads to a dose-rate dependence. These bimolecular mechanisms include electron-hole recombination, hydrogen recapture at hydrogen source sites, and hydrogen dimerization to form hydrogen molecules. The essence of each of these mechanisms is the dominance of the bimolecular reactions over the radiolysis reaction at high dose rates. However, at low dose rates, the radiolysis reaction dominates leading to a maximum effect of the radiation.

In this paper, we describe a rate equation approach that leads to new insights about electrical breakdown in insulating and semiconducting materials. In this approach, the competition between carrier generation by impact ionization and carrier recombination by Auger and defect recombination leads to steady state solutions for the carrier generation rate, and it is the accessibility of these steady state solutions, for a given electric field, that governs whether breakdown does or does not occur. This approach leads to theoretical definitions for not only the intrinsic breakdown field but also other characteristic quantities. Results obtained for GaAs using a carrier distribution function calculated by both a Maxwellian approximation and an ensemble Monte Carlo method will be discussed.

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We present a series of electronic structure calculations that demonstrate a mechanism for spontaneous ionization of hydrogen at the Si-SiO{sub 2} interface. Specifically, we show that an isolated neutral hydrogen atom will spontaneously give up its charge and bond to a threefold coordinated oxygen atom. We refer to this entity as a proton. We have calculated the potential surface and found it to be entirely attractive. In contrast, hydrogen molecules will not undergo an analogous reaction. We relate these calculations both to proton generation experiments and to hydrogen plasma experiments.

This LDRD project has involved the development and application of Sandia's massively parallel materials modeling software to several significant biophysical systems. They have been successful in applying the molecular dynamics code LAMMPS to modeling DNA, unstructured proteins, and lipid membranes. They have developed and applied a coupled transport-molecular theory code (Tramonto) to study ion channel proteins with gramicidin A as a prototype. they have used the Towhee configurational bias Monte-Carlo code to perform rigorous tests of biological force fields. they have also applied the MP-Sala reacting-diffusion code to model cellular systems. Electroporation of cell membranes has also been studied, and detailed quantum mechanical studies of ion solvation have been performed. In addition, new molecular theory algorithms have been developed (in FasTram) that may ultimately make protein solvation calculations feasible on workstations. Finally, they have begun implementation of a combined molecular theory and configurational bias Monte-Carlo code. They note that this LDRD has provided a basis for several new internal (e.g. several new LDRD) and external (e.g. 4 NIH proposals and a DOE/Genomes to Life) proposals.

A new class of semiconductor lasers that can potentially produce much more short pulse energy is presented. This new laser is not limited in volume or aspect ratio by the depth of a p-n junction and are created from current filaments in semi-insulating GaAs. A current filament semiconductor lasers (CFSL) that have produced 75 nJ of 890 nm radiation in 1.5 ns were tested. A filaments as long as 3.4 cm and several hundred microns in diameter in high gain GaAs photoconductive switches were observed. Their smallest dimension can be more than 100 times the carrier diffusion length in GaAs. The spectral narrowing, lasing thresholds, beam divergence, temporal narrowing and energies which imply lasing for several configurations of CFSL are reported.

The longevity of high-gain GaAs photoconductive semiconductor switches (PCSS) has been extended to over 100 million pulses. This was achieved by improving the ohmic contacts through the incorporation of a doped layer that is very effective in the suppression of filament formation, alleviating current crowding. Damage-free operation is now possible at much higher current levels than before. The inherent damage-free current capacity of the bulk GaAs depends on the thickness of the doped layers and is at least 100 A for a dopant diffusion depth of 4 μm. This current could be increased by employing multiple switches connected in parallel. The contact metal has a different damage mechanism, and the threshold for damage (∼40-80 A) is not further improved beyond a dopant diffusion depth of about 2 μm. In a diffusion-doped contact switch, the switching performance is not degraded at the onset of contact metal erosion, unlike a switch with conventional contacts. For fireset applications operating at 1-kV/l-kA levels and higher, doped contacts have not yet resulted in improved longevity. We employ multifllament operation and InPb solder/Au ribbon wirebonding to demonstrate >100-shot lifetime at 1-kV/l-kA. © 2000 IEEE.

Collective impact ionization has been used to explain lock-on in semi-insulating GaAs under high-voltage bias. We have used this theory to study some of the steady-state properties of lock-on current filaments. In steady state, the heat gained from the field is exactly compensated by the cooling due to phonon scattering. In the simplest approximation, the carrier distribution approaches a quasi-equilibrium Maxwell-Boltzmann distribution. In this report, we examine the validity of this approximation. We find that this approximation leads to a filament carrier density that is much lower than the high density needed to achieve a quasi-equilibrium distribution. Further work on this subject is in progress.

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To optimally design circuits for operation at high intensities of ionizing radiation, and to accurately predict their a behavior under radiation, precise device models are needed that include both stationary and dynamic effects of such radiation. Depending on the type and intensity of the ionizing radiation, different degradation mechanisms, such as photoelectric effect, total dose effect, or single even upset might be dominant. In this paper, the authors consider the photoelectric effect associated with the generation of electron-hole pairs in the semiconductor. The effects of low radiation intensity on p-II diodes and bipolar junction transistors (BJTs) were described by low-injection theory in the classical paper by Wirth and Rogers. However, in BJTs compatible with modem integrated circuit technology, high-resistivity regions are often used to enhance device performance, either as a substrate or as an epitaxial layer such as the low-doped n-type collector region of the device. Using low-injection theory, the transient response of epitaxial BJTs was discussed by Florian et al., who mainly concentrated on the effects of the Hi-Lo (high doping - low doping) epilayer/substrate junction of the collector, and on geometrical effects of realistic devices. For devices with highly resistive regions, the assumption of low-level injection is often inappropriate, even at moderate radiation intensities, and a more complete theory for high-injection levels was needed. In the dynamic photocurrent model by Enlow and Alexander. p-n junctions exposed to high-intensity radiation were considered. In their work, the variation of the minority carrier lifetime with excess carrier density, and the effects of the ohmic electric field in the quasi-neutral (q-n) regions were included in a simplified manner. Later, Wunsch and Axness presented a more comprehensive model for the transient radiation response of p-n and p-i-n diode geometries. A stationary model for high-level injection in p-n junctions was developed by Isaque et al. They used a more complete ambipolar transport equation, which included the dependencies of the transport parameters (ambipolar diffusion constant, mobility, and recombination rate) on the excess minority carrier concentration. The expression used for the recombination rate was that of Shockley-Reed-Hall (SRH) recombination which is dominant for low to mid-level radiation intensities. However, at higher intensities, Auger recombination becomes important eventually dominant. The complete ambipolar transport equation including the complicated dependence of transport parameters on the radiation intensity, cannot be solved analytically. This solution is obtained for each of the regimes where a given recombination mechanism dominates, and then by joining these solutions using appropriate smoothing functions. This approach allows them to develop a BJT model accounting for the photoelectric effect of the ionizing radiation that can be implemented in SPICE.

The longevity of high gain GaAs photoconductive semiconductor switches (PCSS) has been extended to over 100 million pulses at 23A, and over 100 pulses at 1kA. This is achieved by improving the ohmic contacts by doping the semi-insulating GaAs underneath the metal, and by achieving a more uniform distribution of contact wear across the entire switch by distributing the trigger light to form multiple filaments. This paper will compare various approaches to doping the contacts, including ion implantation, thermal diffusion, and epitaxial growth. The device characterization also includes examination of the filament behavior using open-shutter, infra-red imaging during high gain switching. These techniques provide information on the filament carrier densities as well as the influence that the different contact structures and trigger light distributions have on the distribution of the current in the devices. This information is guiding the continuing refinement of contact structures and geometries for further improvements in switch longevity.

A new class of semiconductor laser is presented that does not require p-n junctions. Spectral narrowing, lasing thresholds, beam divergence, temporal narrowing, and energies are shown for these lasers based on current filaments in bulk GaAs.

In this paper we describe a unified, hierarchical computational approach to aging and reliability problems caused by materials changes in the oxide layers of Si-based microelectronic devices. We apply this method to a particular low-dose-rate radiation effects problem

We have studied intrinsic free-carrier recombination in a variety of GaAs structures, including: OMVPE- and MBE-prepared GaAs/Al{sub x}Ga{sub 1-x}As double heterostructures, Na{sub 2}S passivated GaAs structures and bare GaAs structures. We find OMVPE prepared structures are superior to all of these other structures with 300 K lifetimes of {approximately} 2.5 {mu}s and negligible nonradiative interface and bulkrecombination, and thus are truly surface-free (S < 40 cm/s). Moreover, we observe systematic trends in optical properties versus growth conditions. Lastly, we find that the presence of free-exciton recombination in the low-temperature photoluminescence spectra is a necessary but not sufficient condition for optimal optical properties (i.e. long minority-carrier lifetimes).