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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Voltage waveform tailoring for high aspect ratio plasma etching of SiO 2 using Ar/CF 4 /O 2 mixtures: Consequences of low fundamental frequency biases

The use of non-sinusoidal waveforms in low pressure capacitively coupled plasmas intended for microelectronics fabrication has the goal of customizing ion and electron energy and angular distributions to the wafer. One such non-sinusoidal waveform uses the sum of consecutive harmonics of a fundamental sinusoidal frequency, f 0 , having a variable phase offset between the fundamental and even harmonics. In this paper, we discuss results from a computational investigation of the relation between ion energy and DC self-bias when varying the fundamental frequency f 0 for capacitively coupled plasmas sustained in Ar/CF 4 /O 2 and how those trends translate to a high aspect ratio etching of trenches in SiO 2 . The fundamental frequency, f 0 , was varied from 1 to 10 MHz and the relative phase from 0° to 180°. Two distinct regimes were identified. Average ion energy onto the wafer is strongly correlated with the DC self-bias at high f 0 , with there being a maximum at φ = 0° and minimum at φ = 180°. In the low frequency regime, this correlation is weak. Average ion energy onto the wafer is instead dominated by dynamic transients in the applied voltage waveforms, with a maximum at φ = 180° and minimum at φ = 0°. The trends in ion energy translate to etch properties. In both, the high and low frequency regimes, higher ion energies translate to higher etch rates and generally preferable final features, though behaving differently with phase angle.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of fabrication processes on BaTiO 3 capacitor properties

There is an increasing desire to utilize complex functional electronic materials such as ferroelectrics in next-generation microelectronics. As new materials are considered or introduced in this capacity, an understanding of how we can process these materials into those devices must be developed. Here, the effect of different fabrication processes on the ferroelectric and related properties of prototypical metal oxide (SrRuO 3 )/ferroelectric (BaTiO 3 )/metal oxide (SrRuO 3 ) heterostructures is explored. Two different types of etching processes are studied, namely, wet etching of the top SrRuO 3 using a NaIO 4 solution and dry etching using an Ar + -ion beam (i.e., ion milling). Polarization-electric-field hysteresis loops for capacitors produced using both methods are compared. For the ion-milling process, it is found that the Ar + beam can introduce defects into the SrRuO 3 /BaTiO 3 /SrRuO 3 devices and that the milling depth strongly influences the defect level and can induce a voltage imprint on the function. Realizing that such processing approaches may be necessary, work is performed to ameliorate the imprint of the hysteresis loops via ex situ “healing” of the process-induced defects by annealing the ferroelectric material in a barium-and-oxygen-rich environment via a chemical-vapor-deposition-style process. This work provides a pathway for the nanoscale fabrication of these candidate materials for next-generation memory and logic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Embracing disorder in quantum materials design

Many of the most exciting materials discoveries in fundamental condensed matter physics are made in systems hosting some degree of intrinsic disorder. While disorder has historically been regarded as something to be avoided in materials design, it is often of central importance to correlated and quantum materials. This is largely driven by the conceptual and theoretical ease to handle, predict, and understand highly uniform systems that exhibit complex interactions, symmetries, and band structures. In this Perspective, we highlight how flipping this paradigm has enabled exciting possibilities in the emerging field of high entropy materials, focusing primarily on high entropy oxide and chalcogenide quantum materials. These materials host high levels of cation or anion compositional disorder while maintaining unexpectedly uniform single crystal lattices. The diversity of atomic scale interactions of spin, charge, orbital, and lattice degrees of freedom are found to emerge into coherent properties on much larger length scales. Thus, altering the variance and magnitudes of the atomic scale properties through elemental selection can open new routes to tune global correlated phases, such as magnetism, metal–insulator transitions, ferroelectricity, and even emergent topological responses. The strategy of embracing disorder in this way provides a much broader pallet from which functional states can be designed for next-generation microelectronic and quantum information systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Multistate resistance in TaN/(Hf,Zr)O 2 /Ta ferroelectric tunnel junctions

Ferroelectric tunnel junctions (FTJs) utilizing hafnium zirconium oxide (HZO) have emerged as promising non-volatile memory elements for microelectronics, compatible with back end of line (BEOL) complementary–metal–oxide semiconductor fabrication. This study investigates asymmetric electrode TaN/HZO/Ta devices with a 6 nm thick HZO layer as FTJs for multistate resistive memory applications. The individual FTJs exhibit a resistance ratio exceeding 10× when utilized as a binary state device, with pulsing between −1.7 and +1.4 V to set the high resistance state (HRS) and low resistance state (LRS), respectively. Following with reduced write voltage pulses allows the ferroelectric device to operate with a selection of over 32 distinct resistance states (2 5 bits) between the LRS and HRS. This work then explores the stability of the resistance states during write/read pulse cycling, along with the stability of the state after multiple read pulses. Accessing the multibit state shows stability within 50 reads with the binary state remaining stable for more than 4000 reads pulses. With their multistate tunability and versatility, FTJs hold promise as BEOL memory elements for compute-in-memory (CiM) arrays, binary digital memory, or weighted vector matrix multiplication applications with low power consumption during computations.

CMOS↗
DOE OSTI2025

Surrogate models to optimize plasma-assisted atomic layer deposition in high aspect ratio features

In this work, we explore surrogate models to optimize plasma enhanced atomic layer deposition (PEALD) in high aspect ratio features. In plasma-based processes such as PEALD and atomic layer etching (ALE), surface recombination can dominate the reactivity of plasma species with the surface, which can lead to unfeasibly long exposure times to achieve full conformality inside nanostructures like high aspect ratio vias. Using a synthetic dataset based on simulations of PEALD, we train artificial neural networks to predict saturation times based on cross section thickness data obtained for partially coated conditions. The results obtained show that just two experiments in undersaturated conditions contain enough information to predict saturation times within 10% of the ground truth. A surrogate model trained to determine whether surface recombination dominates the plasma–surface interactions in a PEALD process achieves 99% accuracy. This demonstrates that machine learning can provide a new pathway to accelerate the optimization of PEALD processes in areas such as microelectronics. Our approach can be easily extended to ALE and more complex structures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Accelerating kinetic plasma simulations with machine-learning-generated initial conditions

Computational models of plasma technologies often solve for the system operating conditions by time-stepping an initial value problem to a quasi-steady solution. However, the strongly nonlinear and multi-timescale nature of plasma dynamics often necessitate millions, or even hundreds of millions, of steps to reach convergence, reducing the effectiveness of these simulations for computer-aided engineering. We consider acceleration of kinetic plasma simulations via data-driven machine-learning-generated initial conditions, which initialize the simulations close to their final quasi-steady-state, thereby reducing the number of steps to reach convergence. Three machine-learning models are developed to predict the density and ion kinetic profiles of capacitively coupled plasma discharges relevant to the microelectronics industry. The models are trained on kinetic simulations over a range of device operating frequencies and pressures. Best performance was observed when simulations were initialized with ion kinetic profiles generated by a convolutional neural network, reducing the mean number of steps to reach convergence by 17.1× when compared to initialization with a zero-dimensional global model. We also outline a workflow for continuous data-driven model improvement and simulation speedup, with the aim of generating sufficient data for full device digital twins.

Artificial neural networks↗
DOE OSTI2020

Mathematics of Gas Ingress of Hermetic Packages

Herein, we have derived a gas ingress and egress equation from the first principles of ideal gases. This work is intended to benefit the hermetic microelectronics packaging community, but it may be applied to other fields that require a deep understanding of gas ingress and egress dynamics. The equation outlined herein encompasses package material properties, package characteristics, hermetic testing conditions, and service conditions. It serves as a practical utility for calculating package pressure changes due to gas ingress and egress and, therefore, a power tool for component and system service life predictions.

42 ENGINEERING↗
DOE OSTI2014

Role of the blocking capacitor in control of ion energy distributions in pulsed capacitively coupled plasmas sustained in Ar/CF{sub 4}/O{sub 2}

In plasma etching for microelectronics fabrication, the quality of the process is in large part determined by the ability to control the ion energy distribution (IED) onto the wafer. To achieve this control, dual frequency capacitively coupled plasmas (DF-CCPs) have been developed with the goal of separately controlling the magnitude of the fluxes of ions and radicals with the high frequency (HF) and the shape of the IED with the low frequency (LF). In steady state operation, plasma properties are determined by a real time balance between electron sources and losses. As such, for a given geometry, pressure, and frequency of operation, the latitude for controlling the IED may be limited. Pulsed power is one technique being investigated to provide additional degrees of freedom to control the IED. In one configuration of a DF-CCP, the HF power is applied to the upper electrode and LF power is applied to the lower electrode which is serially connected to a blocking capacitor (BC) which generates a self dc-bias. In the steady state, the value of the dc-bias is, in fact, constant. During pulsed operation, however, there may be time modulation of the dc-bias which provides an additional means to control the IED. In this paper, IEDs to the wafer in pulsed DF-CCPs sustained in Ar/CF{sub 4}/O{sub 2} are discussed with results from a two-dimensional plasma hydrodynamics model. The IED can be manipulated depending on whether the LF or HF power is pulsed. The dynamic range of the control can be tuned by the dc-bias generated on the substrate, whose time variation depends on the size of the BC during pulsed operation. It was found that high energy ions can be preferentially produced when pulsing the HF power and low energy ions are preferentially produced when pulsing the LF power. A smaller BC value which allows the bias to follow the change in charged particle fluxes produces a larger dynamic range with which to control IEDs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Surface cleaning for enhanced adhesion to packaging surfaces: Effect of oxygen and ammonia plasma

The effects of direct plasma chemistries on carbon removal from silicon nitride (SiN{sub x}) and oxynitride (SiO{sub x}N{sub y}) surfaces have been studied by in-situ x-ray photoelectron spectroscopy (XPS) and ex-situ contact angle measurements. The data indicate that O{sub 2} and NH{sub 3} capacitively coupled plasmas are effective at removing adventitious carbon from silicon nitride (SiN{sub x}) and Si oxynitride (SiO{sub x}N{sub y}) surfaces. O{sub 2} plasma treatment results in the formation of a silica overlayer. In contrast, the exposure to NH{sub 3} plasma results in negligible additional oxidation of the SiN{sub x} or SiO{sub x}N{sub y} surface. Ex-situ contact angle measurements show that SiN{sub x} and SiO{sub x}N{sub y} surfaces exposed to oxygen plasma are initially more hydrophilic than surfaces exposed to NH{sub 3} plasma, indicating that the O{sub 2} plasma-induced SiO{sub 2} overlayer is highly reactive toward ambient. At longer ambient exposures (≳10 h), however, surfaces treated by either O{sub 2} or NH{sub 3} plasma exhibit similar steady state contact angles, correlated with rapid uptake of adventitious carbon, as determined by XPS. Surface passivation by exposure to molecular hydrogen prior to ambient exposure significantly retards the increase in contact angle upon exposure to ambient. The results suggest a practical route to enhancing the time available for effective bonding to surfaces in microelectronics packaging applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

On the physical and chemical details of alumina atomic layer deposition: A combined experimental and numerical approach

Alumina thin film is typically studied as a model atomic layer deposition (ALD) process due to its high dielectric constant, high thermal stability, and good adhesion on various wafer surfaces. Despite extensive applications of alumina ALD in microelectronics industries, details on the physical and chemical processes are not yet well understood. ALD experiments are not able to shed adequate light on the detailed information regarding the transient ALD process. Most of current numerical approaches lack detailed surface reaction mechanisms, and their results are not well correlated with experimental observations. In this paper, the authors present a combined experimental and numerical study on the details of flow and surface reactions in alumina ALD using trimethylaluminum and water as precursors. Results obtained from experiments and simulations are compared and correlated. By experiments, growth rate on five samples under different deposition conditions is characterized. The deposition rate from numerical simulation agrees well with the experimental results. Details of precursor distributions in a full cycle of ALD are studied numerically to bridge between experimental observations and simulations. The 3D transient numerical model adopts surface reaction kinetics and mechanisms based on atomic-level studies to investigate the surface deposition process. Surface deposition is shown as a strictly self-limited process in our numerical studies. ALD is a complex strong-coupled fluid, thermal and chemical process, which is not only heavily dependent on the chemical kinetics and surface conditions but also on the flow and material distributions.

42 ENGINEERING↗
DOE OSTI2015

Electromagnetic effects in high-frequency large-area capacitive discharges: A review

In traditional capacitively coupled plasmas, the discharge can be described by an electrostatic model, in which the Poisson equation is employed to determine the electrostatic electric field. However, current plasma reactors are much larger and driven at a much higher frequency. If the excitation wavelength λ in the plasma becomes comparable to the electrode radius, and the plasma skin depth δ becomes comparable to the electrode spacing, the electromagnetic (EM) effects will become significant and compromise the plasma uniformity. In this regime, capacitive discharges have to be described by an EM model, i.e., the full set of Maxwell's equations should be solved to address the EM effects. This paper gives an overview of the theory, simulation and experiments that have recently been carried out to understand these effects, which cause major uniformity problems in plasma processing for microelectronics and flat panel display industries. Furthermore, some methods for improving the plasma uniformity are also described and compared.

42 ENGINEERING↗
DOE OSTI2015

Effect of transition metal salts on the initiated chemical vapor deposition of polymer thin films

In this work, the effect of transition metal salts on the initiated chemical vapor deposition of polymer thin films was studied using x-ray photoelectron spectroscopy. The polymerizations of 4-vinyl pyridine and 1H,1H,2H,2H-perfluorodecyl acrylate were studied using copper(II) chloride (CuCl{sub 2}) and iron(III) chloride (FeCl{sub 3}) as the transition metal salts. It was found that the surface coverages of both poly(4-vinyl pyridine) (P4VP) and poly(1H,1H,2H,2H-perfluorodecyl acrylate) were decreased on CuCl{sub 2}, while the surface coverage of only P4VP was decreased on FeCl{sub 3}. The decreased polymer surface coverage was found to be due to quenching of the propagating radicals by the salt, which led to a reduction of the oxidation state of the metal. The identification of this reaction mechanism allowed for tuning of the effectiveness of the salts to decrease the polymer surface coverage through the adjustment of processing parameters such as the filament temperature. Additionally, it was demonstrated that the ability of transition metal salts to decrease the polymer surface coverage could be extended to the fabrication of patterned cross-linked coatings, which is important for many practical applications such as sensors and microelectronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Characteristics of WN{sub x}C{sub y} films deposited using remote plasma atomic layer deposition with ({sup Me}Cp)W(CO){sub 2}(NO) for Cu diffusion barrier

Diffusion barrier characteristics of tungsten–nitride–carbide (WN{sub x}C{sub y}) thin films interposed between Cu and SiO{sub 2} layers were studied. The WN{sub x}C{sub y} films were deposited by remote plasma atomic layer deposition (RPALD) using a metal organic source, ({sup Me}Cp)W(CO){sub 2}(NO), and ammonia. Auger electron spectroscopy analysis indicated the WN{sub x}C{sub y} films consisted of tungsten, nitrogen, carbon, and oxygen. X-ray diffraction (XRD) analysis showed that the film deposited at 350 °C was nanocrystalline. The resistivity of WN{sub x}C{sub y} film deposited by RPALD was very low compared to that in previous research because of the lower nitrogen content and different crystal structures of the WN{sub x}C{sub y}. To verify the diffusion barrier characteristics of the WN{sub x}C{sub y} film, Cu films were deposited by physical vapor deposition after WN{sub x}C{sub y} film was formed by RPALD on Si substrate. The Cu/WN{sub x}C{sub y}/Si film stack was annealed in a vacuum by rapid thermal annealing at 500 °C. Cu diffusion through the barrier layer was verified by XRD. Stable film properties were observed up to 500 °C, confirming that WN{sub x}C{sub y} film is suitable as a Cu diffusion barrier in microelectronic circuits.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Atomic layer deposition of boron-containing films using B{sub 2}F{sub 4}

Ultrathin and conformal boron-containing atomic layer deposition (ALD) films could be used as a shallow dopant source for advanced transistor structures in microelectronics manufacturing. With this application in mind, diboron tetrafluoride (B{sub 2}F{sub 4}) was explored as an ALD precursor for the deposition of boron containing films. Density functional theory simulations for nucleation on silicon (100) surfaces indicated better reactivity of B{sub 2}F{sub 4} in comparison to BF{sub 3}. Quartz crystal microbalance experiments exhibited growth using either B{sub 2}F{sub 4}-H{sub 2}O for B{sub 2}O{sub 3} ALD, or B{sub 2}F{sub 4}-disilane (Si{sub 2}H{sub 6}) for B ALD, but in both cases, the initial growth per cycle was quite low (≤0.2 Å/cycle) and decreased to near zero growth after 8–30 ALD cycles. However, alternating between B{sub 2}F{sub 4}-H{sub 2}O and trimethyl aluminum (TMA)-H{sub 2}O ALD cycles resulted in sustained growth at ∼0.65 Å/cycle, suggesting that the dense –OH surface termination produced by the TMA-H{sub 2}O combination enhances the uptake of B{sub 2}F{sub 4} precursor. The resultant boron containing films were analyzed for composition by x-ray photoelectron spectroscopy, and capacitance measurements indicated an insulating characteristic. Finally, diffused boron profiles less than 100 Å were obtained after rapid thermal anneal of the boron containing ALD film.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Voltage waveform tailoring for high aspect ratio plasma etching of SiO 2 using Ar/CF 4 /O 2 mixtures: Consequences of ion and electron distributions on etch profiles

The quality of high aspect ratio (HAR) features etched into dielectrics for microelectronics fabrication using halogen containing low temperature plasmas strongly depends on the energy and angular distribution of the incident ions (IEAD) onto the wafer, as well as potentially that of the electrons (EEAD). Positive ions, accelerated to high energies by the sheath electric field, have narrow angular spreads and can penetrate deeply into HAR features. Electrons typically arrive at the wafer with nearly thermal energy and isotropic angular distributions and so do not directly penetrate deeply into features. These differences can lead to positive charging of the insides of the features that can slow etching rates and produce geometric defects such as twisting. In this work, we computationally investigated the plasma etching of HAR features into SiO 2 using tailored voltage waveforms in a geometrically asymmetric capacitively coupled plasma sustained in an Ar/CF 4 /O 2 mixture at 40 mTorr. The tailored waveform consisted of a sinusoidal wave and its higher harmonics with a fundamental frequency of 1 MHz. We found that some degree of control of the IEADs and EEADs is possible by adjusting the phase of higher harmonics φ through the resulting generation of electrical asymmetry and electric field reversal. However, the IEADs and EEADs cannot easily be separately controlled. The control of IEADs and EEADs is inherently linked. The highest quality feature was obtained with a phase angle φ = 0° as this value generated the largest (most negative) DC self-bias and largest electric field reversal for accelerating electrons into the feature. That said, the consequences of voltage waveform tailoring (VWT) on etched features are dominated by the change in the IEADs. Although VWT does produce EEADs with higher energy and narrower angular spread, the effect of these electrons on the feature compared to thermal electrons is not large. Finally, this smaller impact of VWT produced EEADs is attributed to thermal electrons being accelerated into the feature by electric fields produced by the positive in-feature charging.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Investigations of nanodimensional Al{sup 2}O{sup 3} films deposited by ion-plasma sputtering onto porous silicon

The purpose of this study is the deposition of nanodimensional Al{sup 2}O{sup 3} films on the surface of nanoporous silicon and also fundamental investigations of the structural, optical, and morphological properties of these materials. Analyzing the results obtained here, it is possible to state that ultrathin nanostructured Al{sup 2}O{sup 3} films can be obtained in the form of threads oriented in one direction and located at a distance of 300–500 nm from each other using ion-plasma sputtering on a layer of porous silicon. Such a mechanism of aluminum-oxide growth is conditioned by the crystallographic orientation of the initial single-crystalline silicon wafer used to fabricate the porous layer. The results of optical spectroscopy show that the Al{sup 2}O{sup 3}/por-Si/Si(111) heterophase structure perfectly transmits electromagnetic radiation in the range of 190–900 nm. The maximum in the dispersion of the refractive index obtained for the Al{sup 2}O{sup 3} film grown on por-Si coincides with the optical-absorption edge for aluminum oxide and is located in the region of ∼5.60 eV. This fact is confirmed by the results of calculations of the optical-absorption spectrum of the Al{sup 2}O{sup 3}/por-Si/Si(lll) heterophase structure. The Al{sup 2}O{sup 3} films formed on the heterophase-structure surface in the form of nanodimensional structured threads can serve as channels of optical conduction and can be rather efficiently introduced into conventional technologies, which are of great importance in microelectronics and optoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Influence of the ionization-energy losses of high-energy bismuth ions on the development of helium blisters in silicon

Understanding the behavior of helium in solids under conditions of intense ionizing radiation is of particular interest in solving many problems of nuclear, fusion, and space materials science and also in microelectronics. The observed effect of suppressing the formation of helium blisters on the surface of helium ion-doped silicon as a result of irradiation with high-energy bismuth ions is reported in this publication. It is suggested that a possible decrease in the concentration of helium atoms in silicon is due to their radiationinduced desorption from the area of doping in terms of the high-impact ionization of bismuth ions.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Alternative Technology for Creating Nanostructures Using Dip Pen Nanolithography

For modern microelectronics, at the present time, the technologies of consciousness smart structures play an important role, which can provide accuracy, stability and high quality of the structures. Submicron lithography methods are quite expensive and have natural size limitations, not allowing the production of structures with an extremely small lateral limitation. Therefore, an intensive search was conducted for alternative methods for creating submicron resolution structures. Especially attractive one is the possibility of self-organization effects utilization, where the nanostructure of a certain size is formed under the influence of internal forces. The dip pen nanolithography method based on a scanning probe microscope uses a directwrite technology and allows one to carry out a playback of small size structures with high accuracy. In the experiment, a substrate coated with Au (15 nm) using a DPN technique is applied to the polymer to form a desired pattern nano-sized channel. The experiment was conducted using a pointed probe SiN, coated MHA-Acetonitrile, on the Si(111)/Fe{sub 3}Si/Au structure.

36 MATERIALS SCIENCE↗