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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Conductance enhancement due to interface magnons in electron-beam evaporated MgO magnetic tunnel junctions with CoFeB free layer deposited at different pressure

Electron-beam evaporated MgO-based magnetic tunnel junctions have been fabricated with the CoFeB free layer deposited at Ar pressure from 1 to 4 mTorr, and their tunneling process has been studied as a function of temperature and bias voltage. By changing the growth pressure, the junction dynamic conductance dI/dV, inelastic electron tunneling spectrum d²I/dV², and tunneling magnetoresistance vary with temperature. Moreover, the low-energy magnon cutoff energy E {sub C} derived from the conductance versus temperature curve agrees with interface magnon energy obtained directly from the inelastic electron tunneling spectrum, which demonstrates that interface magnons are involved in the electron tunneling process, opening an additional conductance channel and thus enhancing the total conductance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The significant effect of the thickness of Ni film on the performance of the Ni/Au Ohmic contact to p-GaN

The significant effect of the thickness of Ni film on the performance of the Ohmic contact of Ni/Au to p-GaN is studied. The Ni/Au metal films with thickness of 15/50 nm on p-GaN led to better electrical characteristics, showing a lower specific contact resistivity after annealing in the presence of oxygen. Both the formation of a NiO layer and the evolution of metal structure on the sample surface and at the interface with p-GaN were checked by transmission electron microscopy and energy-dispersive x-ray spectroscopy. The experimental results indicate that a too thin Ni film cannot form enough NiO to decrease the barrier height and get Ohmic contact to p-GaN, while a too thick Ni film will transform into too thick NiO cover on the sample surface and thus will also deteriorate the electrical conductivity of sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The adsorption of α-cyanoacrylic acid on anatase TiO{sub 2} (101) and (001) surfaces: A density functional theory study

The adsorption of α-cyanoacrylic acid (CAA) on anatase TiO{sub 2} (101) and (001) surfaces, including adsorption energies, structures, and electronic properties, have been studied by means of density functional theory calculations in connection with ultrasoft pseudopotential and generalized gradient approximation based upon slab models. The most stable structure of CAA on anatase TiO{sub 2} (101) surface is the dissociated bidentate configuration where the cyano N and carbonyl O bond with two adjacent surface Ti atoms along [010] direction and the dissociated H binds to the surface bridging O which connects the surface Ti bonded with carbonyl O. While for the adsorption of CAA on (001) surface, the most stable structure is the bidentate configuration through the dissociation of hydroxyl in carboxyl moiety. The O atoms of carboxyl bond with two neighbor surface Ti along [100] direction, and the H from dissociated hydroxyl interacts with surface bridging O, generating OH species. The adsorption energies are estimated to be 1.02 and 3.25 eV for (101) and (001) surfaces, respectively. The analysis of density of states not only suggests the bonds between CAA and TiO{sub 2} surfaces are formed but also indicates that CAA adsorptions on TiO{sub 2} (101) and (001) surfaces provide feasible mode for photo-induced electron injection through the interface between TiO{sub 2} and CAA. This is resulted from that, compared with the contribution of CAA orbitals in valence bands, the conduction bands which are mainly composed of Ti 3d orbitals have remarkable reduction of the component of CAA orbitals.

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

Modeling small-signal response of GaN-based metal-insulator-semiconductor high electron mobility transistor gate stack in spill-over regime: Effect of barrier resistance and interface states

We provide theoretical and simulation analysis of the small signal response of SiO{sub 2}/AlGaN/GaN metal insulator semiconductor (MIS) capacitors from depletion to spill over region, where the AlGaN/SiO{sub 2} interface is accumulated with free electrons. A lumped element model of the gate stack, including the response of traps at the III-N/dielectric interface, is proposed and represented in terms of equivalent parallel capacitance, C{sub p}, and conductance, G{sub p}. C{sub p} -voltage and G{sub p} -voltage dependences are modelled taking into account bias dependent AlGaN barrier dynamic resistance R{sub br} and the effective channel resistance. In particular, in the spill-over region, the drop of C{sub p} with the frequency increase can be explained even without taking into account the response of interface traps, solely by considering the intrinsic response of the gate stack (i.e., no trap effects) and the decrease of R{sub br} with the applied forward bias. Furthermore, we show the limitations of the conductance method for the evaluation of the density of interface traps, D{sub it}, from the G{sub p}/ω vs. angular frequency ω curves. A peak in G{sub p}/ω vs. ω occurs even without traps, merely due to the intrinsic frequency response of gate stack. Moreover, the amplitude of the G{sub p}/ω vs. ω peak saturates at high D{sub it}, which can lead to underestimation of D{sub it}. Understanding the complex interplay between the intrinsic gate stack response and the effect of interface traps is relevant for the development of normally on and normally off MIS high electron mobility transistors with stable threshold voltage.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Simulation of electric-field and spin-transfer-torque induced magnetization switching in perpendicular magnetic tunnel junctions

Macrospin simulations are performed to model the magnetization switching driven by the combined action of electric-field and spin-polarized electric current (spin-transfer torque; STT) in MgO/CoFeB based magnetic tunnel junctions with interfacial perpendicular magnetic anisotropy. The results indicate that at low current case, the free layer magnetization shows a fast toggle-like switching, the final parallel or antiparallel magnetization state is determined by the electric-field effect, and the STT just helps or resists it to reach the final state depending on the current direction. However, with the increase of current strength, the contribution of STT effect gradually increases, which eventually achieves a deterministic magnetization switching state. Simulations further demonstrate that by appropriately tuning the parameters of applied electric-field and current the power consumption can be easily reduced by two orders of magnitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Giant perpendicular magnetocrystalline anisotropy of 3d transition-metal thin films on MgO

Magnetocrystalline anisotropy (MCA) of the Fe-based transition-metal thin films was investigated by means of first principles full-potential linearized augmented plane wave method. A giant perpendicular MCA (PMCA), up to 3 meV, was confirmed in a 7-layer Fe-Ni film/MgO(001), where an Fe{sub 2}/Ni/Fe/Ni/Fe{sub 2} atomic-layer alignment with a bcc-like-layer stacking and the Fe/MgO interfaces play key roles for leading to the large PMCA. Importantly, we find that the PMCA overcomes enough over the magnetic dipole-dipole anisotropy that favors the in-plane magnetization even when the film thickness increases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Interface-state capture cross section—Why does it vary so much?

A capture cross section value is often assigned to Si–SiO{sub 2} interface defects. Using a kinetic variation of the charge pumping technique and transition state theory, we show that the value of capture cross section is extremely sensitive to the measurement approach and does not provide any meaningful insight into the physics involved. We argue that capture cross section is neither a physical property of interface defects nor is there any need to assign capture cross section values.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Beta (β) tungsten thin films: Structure, electron transport, and giant spin Hall effect

We use a simple magnetron sputtering process to fabricate beta (β) tungsten thin films, which are capable of generating giant spin Hall effect. As-deposited thin films are always in the metastable β-W phase from 3.0 to 26.7 nm. The β-W phase remains intact below a critical thickness of 22.1 nm even after magnetic thermal annealing at 280 °C, which is required to induce perpendicular magnetic anisotropy (PMA) in a layered structure of β-W/Co{sub 40}Fe{sub 40}B{sub 20}/MgO. Intensive annealing transforms the thicker films (>22.1 nm) into the stable α-W phase. We analyze the structure and grain size of both β- and α-W thin films. Electron transport in terms of resistivity and normal Hall effect is studied over a broad temperature range of 10 K to at least 300 K on all samples. Very low switching current densities are achieved in β-W/Co{sub 40}Fe{sub 40}B{sub 20}/MgO with PMA. These basic properties reveal useful behaviors in β-W thin films, making them technologically promising for spintronic magnetic random access memories and spin-logic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Identification of donor deactivation centers in heavily As-doped Si using time-of-flight medium-energy ion scattering spectroscopy

Electrically-inactive arsenic (As) complexes in silicon are investigated using time-of-flight medium-energy ion scattering spectroscopy. In heavily As-doped Si, the As atoms that are segregated in the Si interface region just below the SiO{sub 2} are found to be in interstitial forms (As{sub i}), while the As atoms in the bulk Si region are found to be in the substitutional form (As{sub Si}). Despite the substitutional form of As, most of the As are found to be electrically inactive in the bulk region, and we identify the As to be in the form of a 〈111〉-oriented As{sub Si}-Si-vacancy (As{sub Si}-V{sub Si}) complex. The As{sub i} atoms in the interface Si region are found to exist together with Si-interstitial atoms (Si{sub i}), suggesting that the As{sub i} atoms in the interface Si region accompany the Si{sub i} atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Voltage-controlled magnetic anisotropy in Fe|MgO tunnel junctions studied by x-ray absorption spectroscopy

In this study, voltage-controlled magnetic anisotropy (VCMA) in Fe|MgO tunnel junctions was investigated via the magneto-optical Kerr effect, soft x-ray absorption spectroscopy, and magnetic circular dichroism spectroscopy. The Fe|MgO tunnel junctions showed enhanced perpendicular magnetic anisotropy under external negative voltage, which induced charge depletion at the Fe|MgO interface. Despite the application of voltages of opposite polarity, no trace of chemical reaction such as a redox reaction attributed to O{sup 2−} migration was detected in the x-ray absorption spectra of the Fe. The VCMA reported in the Fe|MgO-based magnetic tunnel junctions must therefore originate from phenomena associated with the purely electric effect, that is, surface electron doping and/or redistribution induced by an external electric field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

In situ study of the endotaxial growth of hexagonal CoSi{sub 2} nanoplatelets in Si(001)

This investigation aims at studying–by in situ grazing-incidence small-angle x-ray scattering–the process of growth of hexagonal CoSi{sub 2} nanoplatelets endotaxially buried in a Si(001) wafer. The early formation of spherical Co nanoparticles with bimodal size distribution in the deposited silica thin film during a pretreatment at 500 °C and their subsequent growth at 700 °C were also characterized. Isothermal annealing at 700 °C promotes a drastic reduction in the number of the smallest Co nanoparticles and a continuous decrease in their volume fraction in the silica thin film. At the same time, Co atoms diffuse across the SiO{sub 2}/Si(001) interface into the silicon wafer, react with Si, and build up thin hexagonal CoSi{sub 2} nanoplatelets, all of them with their main surfaces parallel to Si(111) crystallographic planes. The observed progressive growths in thickness and lateral size of the hexagonal CoSi{sub 2} nanoplatelets occur at the expense of the dissolution of the small Co nanoparticles that are formed during the pretreatment at 500 °C and become unstable at the annealing temperature (700 °C). The kinetics of growth of the volume fraction of hexagonal platelets is well described by the classical Avrami equation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Evidence for ferromagnetic coupling at the doped topological insulator/ferrimagnetic insulator interface

One of the major obstacles of the magnetic topological insulators (TIs) impeding their practical use is the low Curie temperature (T{sub c}). Very recently, we have demonstrated the enhancement of the magnetic ordering in Cr-doped Bi{sub 2}Se{sub 3} by means of proximity to the high-T{sub c} ferrimagnetic insulator (FMI) Y{sub 3}Fe{sub 5}O{sub 12} and found a large and rapidly decreasing penetration depth of the proximity effect, suggestive of a different carrier propagation process near the TI surface. Here we further present a study of the interfacial magnetic interaction of this TI/FMI heterostrucutre. The synchrotron-based X-ray magnetic circular dichroism (XMCD) technique was used to probe the nature of the exchange coupling of the Bi{sub 2−x}Cr{sub x}Se{sub 3}/Y{sub 3}Fe{sub 5}O{sub 12} interface. We found that the Bi{sub 2−x}Cr{sub x}Se{sub 3} grown on Y{sub 3}Fe{sub 5}O{sub 12}(111) predominately contains Cr{sup 3+} cations, and the spin direction of the Cr{sup 3+} is aligned parallel to that of tetrahedral Fe{sup 3+} of the YIG, revealing a ferromagnetic exchange coupling between the Bi{sub 2−x}Cr{sub x}Se{sub 3} and the Y{sub 3}Fe{sub 5}O{sub 12}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Effective work function engineering for a TiN/XO(X = La, Zr, Al)/SiO{sub 2} stack structures

In this study, we demonstrated that work function engineering is possible over a wide range (+200 mV to −430 mV) in a TiN/XO (X = La, Zr, or Al)/SiO{sub 2} stack structures. From ab initio simulations, we selected the optimal material for the work function engineering. The work function engineering mechanism was described by metal diffusion into the TiN film and silicate formation in the TiN/SiO{sub 2} interface. The metal doping and the silicate formation were confirmed by transmission electron microscopy and energy dispersive spectroscopy line profiling, respectively. In addition, the amount of doped metal in the TiN film depended on the thickness of the insertion layer XO. From the work function engineering technique, which can control a variety of threshold voltages (Vth), an improvement in transistors with different V{sub th} values in the TiN/XO/SiO{sub 2} stack structures is expected.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Interfacial characterization of Al-Al thermocompression bonds

Interfaces formed by Al-Al thermocompression bonding were studied by the transmission electron microscopy. Si wafer pairs having patterned bonding frames were bonded using Al films deposited on Si or SiO{sub 2} as intermediate bonding media. A bond force of 36 or 60 kN at bonding temperatures ranging from 400–550 °C was applied for a duration of 60 min. Differences in the bonded interfaces of 200 μm wide sealing frames were investigated. It was observed that the interface had voids for bonding with 36 kN at 400 °C for Al deposited both on Si and on SiO{sub 2}. However, the dicing yield was 33% for Al on Si and 98% for Al on SiO{sub 2}, attesting for the higher quality of the latter bonds. Both a bond force of 60 kN applied at 400 °C and a bond force of 36 kN applied at 550 °C resulted in completely bonded frames with dicing yields of, respectively, 100% and 96%. A high density of long dislocations in the Al grains was observed for the 60 kN case, while the higher temperature resulted in grain boundary rotation away from the original Al-Al interface towards more stable configurations. Possible bonding mechanisms and reasons for the large difference in bonding quality of the Al films deposited on Si or SiO{sub 2} are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Thermally activated hysteresis in high quality graphene/h-BN devices

We report on gate hysteresis of resistance in high quality graphene/hexagonal boron nitride (h-BN) devices. We observe a thermally activated hysteretic behavior in resistance as a function of the applied gate voltage at temperatures above 375 K. In order to investigate the origin of the hysteretic phenomenon, we compare graphene/h-BN heterostructure devices with SiO{sub 2}/Si back gate electrodes to devices with graphite back gate electrodes. The gate hysteretic behavior of the resistance is present only in devices with an h-BN/SiO{sub 2} interface and is dependent on the orientation of the applied gate electric field and sweep rate. We describe a phenomenological model which captures all of our findings based on charges trapped at the h-BN/SiO{sub 2} interface. Such hysteretic behavior in graphene resistance must be considered in high temperature applications for graphene devices and may open new routes for applications in digital electronics and memory devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

TOF-SIMS analysis of decoherence sources in superconducting qubits

Superconducting qubits have emerged as a potentially foundational platform technology for addressing complex computational problems deemed intractable with classical computing. Despite recent advances enabling multiqubit designs that exhibit coherence lifetimes on the order of hundreds of μs, material quality and interfacial structures continue to curb device performance. Two-level system defects in the thin superconducting film and adjacent dielectric regions introduce stochastic noise and dissipate electromagnetic energy at the cryogenic operating temperatures. In this study, we utilize time-of-flight secondary ion mass spectrometry to understand the role specific fabrication procedures play in introducing such dissipation mechanisms in these complex systems. We interrogated Nb thin films and transmon qubit structures fabricated through slight modifications in the processing and vacuum conditions. We find that when the Nb film is sputtered onto the Si substrate, oxide and silicide regions are generated at various interfaces. We also observe that impurity species, such as niobium hydrides and carbides, are incorporated within the niobium layer during the subsequent lithographic patterning steps. The formation of these resistive compounds likely impacts the superconducting properties of the Nb thin film. Additionally, we observe the presence of halogen species distributed throughout the patterned thin films. We conclude by hypothesizing the source of such impurities in these structures in an effort to intelligently fabricate superconducting qubits and extend coherence times moving forward.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Electro-Optical Stability in Gallium Magnesium Zinc Oxide Layers for CdTe Solar Cells

In CdTe solar cells, the emitter electron density, bandgap, and band alignment can be tuned by adjusting alloy composition and stoichiometry in gallium magnesium zinc oxide (GMZO) layers, thereby allowing for critical front interface engineering. For example, computational modeling indicates efficiency can change from 7% to 25% by adjusting these buffer properties even with fixed CdSeTe and CdTe material properties. However, the GMZO as-deposited electro-optical properties can shift during subsequent CdTe deposition, CdCl 2 annealing, and solar cell operation. Here, we examine these changes by sputtering GMZO films on glass, and measuring the electron density before and after post-deposition treatments over a range of temperatures and different ambients. We then compare GMZO to SnO 2 and MZO. The addition of Ga to MgZnO is found to have profound effects on both the electron density and electro-optical stability that should be advantageous for CdTe solar cells.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2026

Comparative study on the formation of Cr and Ti ohmic contacts to (001) β -Ga 2 O 3

Here, a comparative study of Cr/Au and Ti/Au ohmic contacts on (001) β-Ga 2 O 3 was conducted. The electrical behavior from current-voltage measurements and the interfacial composition and microstructure as determined from high-resolution transmission electron microscopy (TEM) with energy dispersive x-ray analysis were compared for the different contacts at selected points in an annealing series (300–700 °C, 1 min. anneals in N 2 ). Cr/Au contacts became ohmic at temperatures (300–350 °C) approximately 50–100 °C lower than Ti/Au contacts (400–450 °C). Cr/Au and Ti/Au contacts demonstrated optimal ohmic behavior (lowest resistance) when annealed to 450–500 and 500–600 °C, respectively, with Ti/Au contacts yielding a lower total resistance than Cr/Au. Cross-sectional TEM images of Cr/Au contacts annealed at 450 °C revealed the presence of Au nanoclusters at the Ga 2 O 3 interface and CrO x layers at both the top of the contact and the Ga 2 O 3 interface. Whereas TiO x also formed at the top and bottom interfaces in 450 °C-annealed Ti/Au contacts, the TiO x surface layer appeared to be variable in thickness and/or discontinuous, unlike the CrO x surface layer. Au nanoclusters were not detected at the interface in the Ti/Au contacts. The interdiffusion and oxidation observed in both contact metallizations point to the need for diffusion barriers that may allow these contacts to be used in future Ga 2 O 3 -based devices that operate at elevated temperatures.

36 MATERIALS SCIENCE↗