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At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Light-Induced Decoupling of Electronic and Magnetic Properties in Manganites

The strongly correlated material La 0.7 ⁢Sr 0.3 ⁢Mn⁢O 3 (LSMO) exhibits metal-to-insulator and magnetic transition near room temperature. Although the physical properties of LSMO can be manipulated by strain, chemical doping, temperature, or magnetic field, they often require large external stimuli. Further, to include additional flexibility and tunability, we developed a hybrid optoelectronic heterostructure that uses photocarrier injection from cadmium sulfide (Cd⁢ S) to an LSMO layer to change its electrical conductivity. LSMO exhibits no significant optical response; however, the Cd ⁢S/LSMO heterostructures show an enhanced conductivity, with a resistance drop of about 37%, at the transition temperature under light stimuli. This enhanced conductivity in response to light is comparable to the effect of a 9 T magnetic field in pure LSMO. Surprisingly, the optical and magnetic responses of Cd⁢ S/LSMO heterostructures are decoupled and exhibit different effects when both stimuli are applied. This unexpected behavior shows that heterostructuring strongly correlated oxides may require a new understanding of the coupling of physical properties across the transitions and provide the means to implement new functionalities.

36 MATERIALS SCIENCE↗
NASA NTRS2006

Experimental Partitioning of Cr(3+) and Sc(3+) into Olivine: Mechanisms and Implications

Olivine (Mg, Fe)Si2O4 does not, by stoichiometry, accept cations such as Sc(3+) or Cr(3+). However, the partition coefficients of Sc and Cr between olivine and liquid are significant 0.2-1.0. We have measured Cr(3+) partition coefficients of near unity and have grown olivines with nearly 3 wt.% Sc2O3. Therefore, there must be a simple means of charge balancing 3+ ions in a crystal structure that was obviously not designed to receive other than 2+ ions on the olivine M sites. The simplest explanation is that two 3+ ions enter the olivine structure by displacing three 2+ ions and creating an M site vacancy. Even this explanation has difficulties. For minor elements in our experiments (~1 wt.%) the odds of a minor element 3+ ion finding a second 3+ for charge balance are of the order of 100:1 against. Because of the reducing conditions of our experiments, Fe(3+) will not suffice; and Al(3+) is not in sufficient quantity in olivine for charge balance. Therefore, Cr or Sc must, in effect, charge balance itself. For true trace elements, the problem is compounded many times. For an ion at the 10 ppm level the chances of finding a second (for example) Sc ion is approx.10(exp 5):1 against. Of course, any other 3+ ion would suffice but comparisons between percent level doping experiments and trace level partitioning indicate that Henry s law is obeyed. This implies that the same substitution mechanism occurs at both the percent and tens of ppm levels. There are two simple solutions to this problem: (i) The electrical conductivity of olivine is such that charge balance need not be local. This requires substantial domains within the olivine crystal in electrical contact by migration of vacancies or electronic defects. (ii) The 3+ cation brings along its own charge-balancing ion because it existed as a dimer in the silicate liquid. Olivine is not a true insulator but is actually a p-type semiconductor. Even so, electrical communication by this means is unlikely over the tens or hundreds of unit cells that would be required for charge balance to be local. Therefore, we cautiously favor the idea that melt speciation is the means by which 3+ ions enter the olivine structure. Possibly this model might be tested by in situ XAFS measurements or by molecular dynamical calculations.

Jones, John↗
NASA NTRS2012

Detection of Chemical Precursors of Explosives

Certain selected chemicals associated with terrorist activities are too unstable to be prepared in final form. These chemicals are often prepared as precursor components, to be combined at a time immediately preceding the detonation. One example is a liquid explosive, which usually requires an oxidizer, an energy source, and a chemical or physical mechanism to combine the other components. Detection of the oxidizer (e.g. H2O2) or the energy source (e.g., nitromethane) is often possible, but must be performed in a short time interval (e.g., 5 15 seconds) and in an environment with a very small concentration (e.g.,1 100 ppm), because the target chemical(s) is carried in a sealed container. These needs are met by this invention, which provides a system and associated method for detecting one or more chemical precursors (components) of a multi-component explosive compound. Different carbon nanotubes (CNTs) are loaded (by doping, impregnation, coating, or other functionalization process) for detecting of different chemical substances that are the chemical precursors, respectively, if these precursors are present in a gas to which the CNTs are exposed. After exposure to the gas, a measured electrical parameter (e.g. voltage or current that correlate to impedance, conductivity, capacitance, inductance, etc.) changes with time and concentration in a predictable manner if a selected chemical precursor is present, and will approach an asymptotic value promptly after exposure to the precursor. The measured voltage or current are compared with one or more sequences of their reference values for one or more known target precursor molecules, and a most probable concentration value is estimated for each one, two, or more target molecules. An error value is computed, based on differences of voltage or current for the measured and reference values, using the most probable concentration values. Where the error value is less than a threshold, the system concludes that the target molecule is likely. Presence of one, two, or more target molecules in the gas can be sensed from a single set of measurements.

Li, Jing↗
DOE OSTI2021

Manipulating cobalt oxide on N-doped aligned electrospun carbon nanofibers towards instant electrochemical detection of dopamine secreted by living cells

A demand exists for the development of miniaturized biosensors with high sensitivity and a wide dynamic range for rapid detecting dopamine (DA) levels. Here, an electrochemical sensor is created by decorating closely packed cobalt oxide (Co 3 O 4 ) nanograins on nitrogen-doped electrospun carbon nanofibers (NECNFs) via a facile electrodeposition method. The carbon nanofiber matrix provides both a scaffold with ultrahigh surface area for homogeneous dispersion of cobalt oxide nanostructures and facilitates the electrochemical conductivity for the hybrid electrode. The sensing principle is based on the redox reaction between DA and DA quinone that generates electrical signal, which is detectable via differential pulse voltammetry (DPV) and chronoamperometry (CA). Owing to a high electroactive surface area and facilitating electron transfer between electrode surface and the target molecule, the electrical sensing platform exhibits superior sensitivity and selectivity toward DA, with an excellent limit of detection (9 nM) over a wide range of concentrations (0.01 to 100 μM). Moreover, based on its excellent sensing properties and biocompatibility, the sensor has been used for the real-time monitoring exogeneous DA released from pheochromocytoma (PC12) cells. This work demonstrates promise of a novel sensor technology that may render rapid point-of-care testing of DA towards early clinical diagnosis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Intersubband Transitions in Lead Halide Perovskite-Based Quantum Wells for Mid-Infrared Detectors

Due to their excellent optical and electrical properties as well as versatile growth and fabrication processes, lead halide perovskites have been widely considered as promising candidates for green energy and applications related to optoelectronics. Here, we investigate their potential applications at infrared wavelengths by modeling the intersubband transitions in perovskite-based quantum well systems. Both single-well and double-well structures are studied, and their energy levels as well as the corresponding wave functions and intersubband transition energies are calculated by solving the one-dimensional Schrödinger equations. Via adjustment of the quantum well and barrier thicknesses, the intersubband transition energies can be tuned to cover a broad infrared wavelength range. We also find that the lead halide perovskite-based quantum wells possess high absorption coefficients. In conclusion, the widely tunable transition energies and high absorption coefficients of the perovskite-based quantum well systems, combined with their unique material and electrical properties, may enable an alternative material system for infrared photodetector applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Interpreting angle-dependent magnetoresistance in layered materials: Application to cuprates

The evolution of the low-temperature electronic structure of the cuprate metals from the overdoped to the underdoped side has recently been addressed through angle-dependant magnetoresistance (ADMR) experiments in La 1.6-x Nd 0.4 Sr x CuO 4 . Here the results show a striking difference between hole dopings p = 0.24 and p = 0.21, which lie on either side of a putative quantum critical point at intermediate p. Motivated by this, we here study the theory of ADMR in correlated layered materials, paying special attention to the role of angle-dependent quasiparticle weights Z k . Such a Z k is expected to characterize a number of popular models of the cuprate materials, particularly when underdoped. Further, in the limit of weak interlayer hopping the quasiparticle weight will affect the c-axis transport measured in ADMR experiments. We show that proper inclusion of the quasiparticle weight does not support an interpretation of the data in terms of a (π,π) spin density wave ordered state, in agreement with the lack of direct evidence for such order. We show that a simple model of Fermi surface reconfiguring across a van Hove point captures many of the striking differences seen between p = 0.21 and p = 0.24. We comment on why such a model may be appropriate for interpreting the ADMR data, despite having a large Fermi surface at p = 0.21, seemingly in contradiction with other evidence for a small Fermi surface at that doping level.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Hydroxide promotes carbon dioxide electroreduction to ethanol on copper via tuning of adsorbed hydrogen

Producing liquid fuels such as ethanol from CO 2 , H 2 O, and renewable electricity offers a route to store sustainable energy. The search for efficient electrocatalysts for the CO 2 reduction reaction relies on tuning the adsorption strength of carbonaceous intermediates. Here, we report a complementary approach in which we utilize hydroxide and oxide doping of a catalyst surface to tune the adsorbed hydrogen on Cu. Density functional theory studies indicate that this doping accelerates water dissociation and changes the hydrogen adsorption energy on Cu. We synthesize and investigate a suite of metal-hydroxide-interface-doped-Cu catalysts, and find that the most efficient, Ce(OH) x -doped-Cu, exhibits an ethanol Faradaic efficiency of 43% and a partial current density of 128 mA cm -2 . Mechanistic studies, wherein we combine investigation of hydrogen evolution performance with the results of operando Raman spectroscopy, show that adsorbed hydrogen hydrogenates surface *HCCOH, a key intermediate whose fate determines branching to ethanol versus ethylene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Expression of interfacial Seebeck coefficient through grain boundary engineering with multi-layer graphene nanoplatelets

Energy filtering has been a long-sought strategy to enhance a thermoelectric material's figure of merit zT through improving its power factor. Here we show a composite of multi-layer graphene nanoplatelets (GNP) and n-type Mg 3 Sb 2 leads to the expression of an energy filtering like effect demonstrated by an increase in the material's Seebeck coefficient and maximum power factor, without impact on the material's carrier concentration. We analyse these findings from the perspective of a heterogeneous material consisting of grain and grain boundary phases, instead of a more traditional and common analysis that assumes a homogeneously transporting medium. An important implication of this treatment is that it leads to the development of an interfacial Seebeck coefficient term, which can explain the observed increase in the material's Seebeck coefficient. The contribution of this interfacial Seebeck coefficient to the overall Seebeck coefficient is determined by the relative temperature drop across the grain boundary region compared to that of the bulk material. In Te doped Mg 3 Sb 2 we show the introduction of GNP increases the interfacial thermal resistance of grain boundaries, enhancing the contribution of the interfacial Seebeck coefficient arising from grain boundaries to the overall Seebeck coefficient. Without significant detriment to the electrical conductivity this effect results in a net increase in maximum power factor. This increased interfacial thermal resistance also leads to the synergistic reduction of the total thermal conductivity. As a result, we enhance zT of the Mg 3 Sb 2 to a peak value of 1.7 near 750 K. Considering the two-dimensional nature of the grain boundary interface, this grain boundary engineering strategy could be applied to a few thermoelectric systems utilizing various two-dimensional nanomaterials.

42 ENGINEERING↗
NASA NTRS1982

Thermoelectric refrigeration for temperatures below 100 K: A study of titanium sesquioxide

Previous measurements of the specific heat of V-doped Ti2O3 at low temperatures were explained by a model which also suggested the material would have a high thermoelectric figure-of-merit. The sample preparation, experimental apparatus, and the results of measurements on the thermal conductivity, thermoelectric power, and electrical resistivity of a single crystal Ti2O3 - 4% V sample are described. The results are used to derive the thermoelectric figure-of-merit between 5 and 300 K. The figure-of-merit is much smaller than expected and of little practical value because of the very high phonon thermal conductivity.

Redebaugh, R.↗
DOE OSTI2024

Slug-flow synthesis of NCMA: Effect of substitution of cobalt with aluminum on the electrochemical performance of Ni-rich cathode for lithium-ion battery

Nickle-rich Li[Ni 1-x-y Co x Mn y ]O 2 (x, y≤0.1) (NCM) layered materials are known as promising cathode materials for next-generation lithium-ion batteries and electric vehicles owing to their high-reversible capacity and operating voltage of up to 3.6 vs Li/Li + . However, issues, such as irreversible phase transition, cation mixing, microcrack formation, thermal and structural stability of the material prevent its widespread adoption. Although, cation doping is a well-known technique to enhance the electrochemical performance of the NCM-based cathode material, the performance of the material is very sensitive to the doping amount. In this study, three Al-doped quaternary Ni-rich cathode materials Li[Ni 0.85 Co (0.1-x) Mn 0.05 Al x ]O 2 (where, x=0–0.04) (NCMA) are synthesized through three-phase slug-flow based continuous manufacturing process followed by high temperature calcination to study the effect of Aldoping on the performance of the cathode material while reducing Co. The slug flow-based production platform has several advantages, like particle size uniformity, high production rate, and homogeneity in elemental distribution. It is found that with an increase in Al content, the specific capacity decreases but the cyclic stability and rate capability increases. Furthermore, optimum Al-doping not only compensates for the adverse effect of low Co by decreasing the extent of cation mixing, but it also minimizes the electrode polarization and cracking of the particles.

25 ENERGY STORAGE↗
DOE OSTI2025

Structural stability, elemental ordering, and transport properties of layered ScTaN 2

Ternary transition metal (TM) nitrides have gained significant attention in thin film research due to their promising properties for a broad range of applications. Particularly, some of the ternary TM nitrides have been predicted to adopt layered structures that make them interesting for thermoelectric conversion and quantum materials applications. Unfortunately, synthesis of TM ternary nitride films by physical vapor deposition often favors disordered 3D structures rather than the predicted 2D-like layered structure. In this study, we investigate the structural interplay in the Sc-Ta-N ternary system using a combinatorial approach. Combinatorial libraries S⁢c 𝑥 ⁢T⁢a 1−𝑥 ⁢N are synthesized following a two-step method: First, deposit film precursors by cosputtering and then process the resulting 3D-structured samples with rapid thermal annealing. Synchrotron grazing-incidence wide-angle x-ray scattering on films annealed at 1200 ⁢°⁢C for 20 min leads to the nucleation of ScTaN 2 layered structure (𝑃⁢6 3 /𝑚⁢𝑚⁢𝑐) near stoichiometry. We find that the layered structure can accommodate large off-stoichiometry in the Ta-rich region (𝑥 < 0.5), facilitated by the alloying with quasi-isostructural Ta 5 ⁢N 6 compound that exists on a composition tie line at 𝑥 = 0. While focusing on ScTaN 2 , we estimate the long-range order parameter in near-stoichiometric films to be 0.86, corresponding to a fraction of Sc/Ta antisites of 7%. Transport measurements on ScTaN 2 reveal a nearly temperature-independent high carrier density (10 21 c⁢m −3 ), suggesting a heavily doped semiconductor or semimetallic character, consistent with a small positive Seebeck coefficient of +19 µV/K. The carrier mobility at 2 K is relatively small (9.5c⁢m 2 V −1 s −1 ) and the residual-resistivity ratio is minor, suggesting that electrical conduction is dominated by defects or disorder. Measured magnetoresistance suggests possible weak antilocalization at 2 K. This paper highlights the interplay between ScTaN 2 and Ta 5 ⁢N 6 crystal structures in stabilizing layered materials, emphasizes the importance of cation order/disorder for potential tunable alloys, and suggests that ScTaN 2 is a promising platform for exploring electronic properties.

36 MATERIALS SCIENCE↗
NASA NTRS2016

AlMn Transition Edge Sensors for Advanced ACTPol

Advanced ACTPol (Adv ACT) will use an array of multichroic polarization sensitive AIMn transition edge sensor (TES) bolometers read out through time-division multiplexing. Aluminum doped with a low concentration of manganese can be deposited to a bulk film thickness for a more reliable superconducting critical temperature uniformity compared to thin bilayers. To build the TES, the AlMn alloy is deposited, over Nb wiring, to a specific thickness to set the TES normal resistance. The doping concentration of manganese coarsely defines the TES critical temperature, while a fine tuning is achieved by heating the deposited film to a specific temperature. The TES island is connected to the thermal bath via four silicon-nitride membranes, where their geometry defines the thermal conductance to the temperature of the bath. Lastly, the TES heat capacity is increased by addition of PdAu electrically connected to the AlMn film. Designs and performance characteristics of these AlMn TESs are presented for use in AdvACT.

Advanced ACTPol (AdvACT)↗
DOE OSTI2022

Study of Carrier Mobilities in 4H-SiC MOSFETS Using Hall Analysis

The channel conduction in 4H-SiC metal–oxide–semiconductor field effect transistors (MOSFETs) are highly impacted by charge trapping and scattering at the interface. Even though nitridation reduces the interface trap density, scattering still plays a crucial role in increasing the channel resistance in these transistors. In this work, the dominant scattering mechanisms are distinguished for inversion layer electrons and holes using temperature and body-bias-dependent Hall measurements on nitrided lateral 4H-SiC MOSFETs. The effect of the transverse electric field (E eƒƒ ) on carrier mobility is analyzed under strong inversion condition where surface roughness scattering becomes prevalent. Power law dependencies of the electron and hole Hall mobility for surface roughness scattering are determined to be E$^{-1.8}_{eƒƒ}$ and E$^{-2.4}_{eƒƒ}$, respectively, analogous to those of silicon MOSFETs. Moreover, for n-channel MOSFETs, the effect of phonon scattering is observed at zero body bias, whereas in p-channel MOSFETs, it is observed only under negative body biases. Along with the identification of regimes governed by different scattering mechanisms, these results highlight the importance of the selection of substrate doping and of E eƒƒ in controlling the value of channel mobility in 4H-SiC MOSFETs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Modeling dislocation-related leakage currents in GaN p-n diodes

Finite element analysis software was used to model and visualize two p-n junction models: one with a single threading dislocation (TD) and a control model without a dislocation. TDs are modeled as a Gaussian distribution of trap states with an FWHM of 5 nm localized around the r=0 line in a cylindrical coordination such that the linear trap state density was 1 trap/c-translation; this model allows the cylindrical symmetry of the c-plane GaN crystal orientation to be utilized to avoid more computationally intensive 3D models. It was discovered that the interaction of the charged dislocation region with the p-n junction had many notable effects. At zero bias, it was observed that the depletion region width (using the Depletion Approximation) and the maximum electric field were markedly reduced near the dislocation line. More significantly, an asymmetric reduction in the diffusion barrier for electrons (Vbieff=3.03eV) and holes (Vbieff=0.81eV) was observed due to the asymmetric nature of the dislocation band bending related to the doping. The asymmetric reductions in diffusion barriers persisted into VA=2.4V leakage case where asymmetric current profiles for electrons and holes were also observed. Lastly, the diffusion barrier reduction resulted in an additional Shockley-Read-Hall nonradiative recombination leakage caused by a high np-product and trap state density near the intersection of the dislocation with the junction.

Robertson, C. A. (ORCID:0000000300122262)↗
DOE OSTI2025

Dopant Sensitive Electrolytic Etching of Germanium with High Selectivity

Abstract The enhanced charge carrier mobility and photon absorption compared to silicon make germanium attractive for next-generation photo diodes. However, the complex oxidation behavior of germanium challenges dopant-dependent selective etching that is desired for the fabrication of backside imaging architectures. This report demonstrates electrolytic wet etching of p-doped germanium which proceeds up to 17,500x faster than etching of intrinsic germanium. Homoepitaxially grown layers of germanium were electrolytically etched in potassium hydroxide over a range of biases. Intermittent acquisition of cyclic voltammetry spectra during etching has suppressed the formation of electric double layers, maintained appreciable etch rates, and allowed for in operando process control. The observed etch rates scaled with dopant concentration. An effective etch rate of germanium removal of 2.100±0.044 µm/min was accomplished for a boron dopant concentration of 6E18cm-3. For nominally intrinsic germanium, however, an effective etch rate of only 0.00012±0.00011 µm/min was observed. A series of systematic electrolytic etch experiments have revealed the transfer of 4 electrons per germanium atom removed.

Wood, Joseph G.↗
NASA NTRS1972

Study of beryllium and beryllium-lithium complexes in single-crystal silicon.

When beryllium is thermally diffused into silicon, it gives rise to acceptor levels 191 and 145 meV above the valence band. Quenching and annealing studies indicate that the 145-meV level is due to a more complex beryllium configuration than the 191-meV level. When lithium is thermally diffused into a beryllium-doped silicon sample, it produces two new acceptor levels at 106 and 81 meV. Quenching and annealing studies indicate that these new levels are due to lithium forming a complex with the defects responsible for the 191- and 145-meV beryllium levels, respectively. Electrical measurements imply that the lithium impurity ions are physically close to the beryllium impurity atoms. The ground state of the 106-meV beryllium-lithium level is split into two levels, presumably by internal strains. Tentative models are proposed to explain these results.

Crouch, R. K.↗
NASA NTRS1972

A study of beryllium and beryllium-lithium complexes in single crystal silicon

When beryllium is thermally diffused into silicon, it gives rise to acceptor levels 191 MeV and 145 meV above the valence band. Quenching and annealing studies indicate that the 145-MeV level is due to a more complex beryllium configuration than the 191-MeV level. When lithium is thermally diffused into a beryllium-doped silicon sample, it produces two acceptor levels at 106 MeV and 81 MeV. Quenching and annealing studies indicate that these levels are due to lithium forming a complex with the defects responsible for the 191-MeV and 145-MeV beryllium levels, respectively. Electrical measurements imply that the lithium impurity ions are physically close to the beryllium impurity atoms. The ground state of the 106-MeV beryllium level is split into two levels, presumably by internal strains. Tentative models are proposed.

Crouch, R. K.↗
DOE OSTI2023

Electronic structure, magnetic properties, spin orientation, and doping effect in Mn 3 Si 2 Te 6

The layered material Mn 3 Si 2 Te 6 , with alternating stacking honeycomb and triangular layers, is attracting considerable attention due to its rich physical properties. Here, in this study, using density functional theory and classical Monte Carlo (MC) methods, we systematically study this system with the 3d 5 electronic configuration. Near the Fermi level, the states are mainly contributed by Te 5p orbitals hybridized with Mn 3d orbitals, resembling a charge-transfer system. Furthermore, the spin orientations of the ferrimagnetic (FiM) ground state display different conductive behaviors when along the ab plane or out-of-plane directions: insulating vs metallic states. The energy difference between the FiM [110] insulating and FiM [001] metallic phases is very small (~0.71 meV/Mn) . Changing the angle θ of spin orientation from in-plane to out-of-plane directions, the band gaps of this system are gradually reduced, leading to an insulator-metal transition, resulting in an enhanced electrical conductivity, related to the colossal angular magnetoresistance (MR) effect. Although the three main magnetic couplings were found to be antiferromagnetic, overall the ground state is FiM. In addition, we also constructed the magnetic phase diagram using the classical XY spin model studied with the MC method. Three magnetic phases were obtained, including antiferromagnetic order, noncollinear spin patterns, and FiM order. Moreover, we also investigated the Se and Ge doping into the Mn 3 Si 2 Te 6 system: the FiM state has the lowest energy among the magnetic candidates for both Se- and Ge-doped cases. The magnetic anisotropy energy (MAE) decreases in the Se-doped case because the Mn orbital moment is reduced as the doping x increases. Due to the small spin-orbit-coupling effect of Se, the insulator-metal transition caused by the spin orientation disappears in the Se-doped case, resulting in an insulating phase in the FiM [001] phase. This causes a reduced colossal angular MR. However, both the MAE and the band gap of the Ge-doped case do not change much with increasing doping x . Our results for Mn 3 Si 2 Te 6 could provide guidance to experimentalists and theorists working on this system or related materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗