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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dangling Bonds as Possible Contributors to Charge Noise in Silicon and Silicon–Germanium Quantum Dot Qubits

Spin qubits based on Si and Si 1–x Ge x quantum dot architectures exhibit among the best coherence times of competing quantum computing technologies, yet they still suffer from charge noise that limit their qubit gate fidelities. Identifying the origins of these charge fluctuations is therefore a critical step toward improving Si quantum-dot-based qubits. Here, we use hybrid functional calculations to investigate possible atomistic sources of charge noise, focusing on charge trapping at Si and Ge dangling bonds (DBs). We evaluate the role of global and local environment in the defect levels associated with DBs in Si, Ge, and Si 1–x Ge x alloys, and consider their trapping and excitation energies within the framework of configuration coordinate diagrams. We additionally consider the influence of strain and oxidation in charge-trapping energetics by analyzing Si and GeSi DBs in SiO 2 and strained Si layers in typical Si 1–x Ge x quantum dot heterostructures. Our results identify that Ge dangling bonds are more problematic charge-trapping centers both in typical Si 1–x Ge x alloys and associated oxidation layers, and they may be exacerbated by compositional inhomogeneities. In conclusion, these results suggest the importance of alloy homogeneity and possible passivation schemes for DBs in Si-based quantum dot qubits and are of general relevance to mitigating possible trap levels in other Si, Ge, and Si 1–x Ge x -based metal-oxide-semiconductor stacks and related devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

An examination of the performance of molecular dynamics force fields: Silicon and silicon dioxide reactive ion etching

Classical molecular dynamics (MD) simulations of plasma-surface interactions were performed of physical sputtering and reactive ion etching (RIE), with predictions based on several force fields. In this paper, we focus mainly on SiO 2 but include some results for Si substrates as well. Here, we compare predictions from these MD simulations to experimental studies of SiO 2 physical sputtering (by Ar + ions), RIE of Si, and RIE of SiO 2 (both using F atoms and Ar + ions). MD results using different published force fields are compared to reported yields from published vacuum beam experiments. The near-surface depth profiles predicted using different force fields are compared. One motivation for the present study is to document the nature and magnitude of differences in the predictions for selected systems and conditions of practical interest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Low-temperature etching of silicon oxide and silicon nitride with hydrogen fluoride

Etching of high aspect ratio features into alternating SiO 2 and SiN layers is an enabling technology for the manufacturing of 3D NAND flash memories. In this paper, we study a low-temperature or cryo plasma etch process, which utilizes HF gas together with other gas additives. Compared with a low-temperature process that uses separate fluorine and hydrogen gases, the etching rate of the SiO 2 /SiN stack doubles. Both materials etch faster with this so-called second generation cryo etch process. Pure HF plasma enhances the SiN etching rate, while SiO 2 requires an additional fluorine source such as PF 3 to etch meaningfully. Further, the insertion of H 2 O plasma steps into the second generation cryo etch process boosts the SiN etching rate by a factor of 2.4, while SiO 2 etches only 1.3 times faster. We observe a rate enhancing effect of H 2 O coadsorption in thermal etching experiments of SiN with HF. Ammonium fluorosilicate (AFS) plays a salient role in etching of SiN with HF with and without plasma. AFS appears weakened in the presence of H 2 O. Density functional theory calculations confirm the reduction of the bonding energy when NH 4 F in AFS is replaced by H 2 O.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

High gas velocity burner tests on silicon carbide and silicon nitride at 1200 C

Ten SiC materials and five Si3N4 materials were exposed in a Mach 1-gas-velocity burner simulating a gas-turbine engine environment. All materials studied are commercially available. Cyclic tests up to 100 hours' duration were conducted at specimen temperatures of 1200 C. A specimen geometry was used that develops thermal stresses during thermal cycling in a manner similar to blades and vanes of a gas turbine engine. Materials were compared on a basis of weight change, dimensional reductions, metallography, fluorescent-penetrant inspection, X-ray diffraction analyses, failure mode, and general appearance. One hot-pressed SiC, one reaction-sintered SiC, and three hot-pressed Si3N4 materials survived the program goal of 100 one-hour cycles of exposures. Of the materials that failed to meet the program goal, thermal fatigue was identified as the exclusive failure mode.

Sanders, W. A.↗
NASA NTRS1978

Silicon crystals: Process for manufacturing wafer-like silicon crystals with a columnar structure

Wafer-like crystals suitable for making solar cells are formed by pouring molten Si containing suitable dopants into a mold of the desired shape and allowing it to solidify in a temperature gradient, whereby the large surface of the melt in contact with the mold is kept at less than 200 D and the free surface is kept at a temperature of 200-1000 D higher, but below the melting point of Si. The mold can also be made in the form of a slit, whereby the 2 sides of the mold are kept at different temperatures. A mold was milled in the surface of a cylindrical graphite block 200 mm in diameter. The granite block was induction heated and the bottom of the mold was cooled by means of a water-cooled Cu plate, so that the surface of the mold in contact with one of the largest surfaces of the melt was held at approximately 800 D. The free surface of the melt was subjected to thermal radiation from a graphite plate located 2 mm from the surface and heated to 1500 D. The Si crystal formed after slow cooling to room temperature had a columnar structure and was cut with a diamond saw into wafers approximately 500 mm thick. Solar cells prepared from these wafers had efficiencies of 10 to 11%.

Authier, B.↗