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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Surface triggered stabilization of metastable charge-ordered phase in SrTiO 3

Charge ordering (CO), characterized by a periodic modulation of electron density and lattice distortion, has been a fundamental topic in condensed matter physics, serving as a potential platform for inducing novel functional properties. The charge-ordered phase is known to occur in a doped system with high d-electron occupancy, rather than low occupancy. Here, we report the realization of the charge-ordered phase in electron-doped (100) SrTiO 3 epitaxial thin films that have the lowest d-electron occupancy i.e., d 1 -d 0 . Theoretical calculation predicts the presence of a metastable CO state in the bulk state of electron-doped SrTiO 3 . Atomic scale analysis reveals that (100) surface distortion favors electron-lattice coupling for the charge-ordered state, and triggering the stabilization of the CO phase from a correlated metal state. This stabilization extends up to six unit cells from the top surface to the interior. Our approach offers an insight into the means of stabilizing a new phase of matter, extending CO phase to the lowest electron occupancy and encompassing a wide range of 3d transition metal oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Structural, magnetic and electronic properties of Ti-doped BaFeO 3-δ exhibiting colossal dielectric permittivity

We report a systematical investigation of the structural, magnetic, electronic, and dielectric properties of BaFe 1-x Ti x O 3-δ (x = 0.05, 0.10, 0.15 and 0.20) samples synthesized via the solid-state reaction method. Rietveld refinement using a combination of room-temperature X-ray (XRD) and neutron powder diffraction (NPD) data confirms single phases with a 6H-type structure for all the samples. X-ray absorption spectroscopy (XAS) study reveals a coexistence of Fe 3+ and Fe 4+ , whose ratio remains almost unchanged with increasing Ti concentration. Magnetization measurements reveal a low-temperature inhomogeneous magnetic state with coexisting ferromagnetic (FM), AFM clusters and a paramagnetic phase. Moreover, magnetization of x = 0.10 shows a pinched hysteresis loop behavior, suggesting the coexistence of hard and soft FM phases in samples with high Ti concentrations. Low-temperature NPD measurements also confirm the absence of any long-range magnetic order in the samples. A colossal dielectric permittivity and two relaxation processes are observed for most of the studied samples. There is a change in electric conduction mechanism from the small polaron hopping to the Mott's variable-range hopping with increasing Ti concentration.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A unified form of low-energy nodal electronic interactions in hole-doped cuprate superconductors

Using angle resolved photoemission spectroscopy measurements of Bi 2 Sr 2 CaCu 2 O 8+δ over a wide range of doping levels, we present a universal form for the non-Fermi liquid electronic interactions in the nodal direction in the exotic normal state phase. It is described by a continuously varying power law exponent versus energy and temperature (hence named a Power Law Liquid or PLL), which with doping varies smoothly from a quadratic Fermi Liquid in the overdoped regime, to a linear Marginal Fermi Liquid at optimal doping, to a non-quasiparticle non-Fermi Liquid in the underdoped regime. The coupling strength is essentially constant across all regimes and is consistent with Planckian dissipation. Using the extracted PLL parameters we reproduce the experimental optics and resistivity over a wide range of doping and normal-state temperature values, including the T* pseudogap temperature scale observed in the resistivity curves. This breaks the direct link to the pseudogapping of antinodal spectral weight observed at similar temperature scales and gives an alternative direction for searches of the microscopic mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

All-perovskite transparent high mobility field effect using epitaxial BaSnO{sub 3} and LaInO{sub 3}

We demonstrate an all-perovskite transparent heterojunction field effect transistor made of two lattice-matched perovskite oxides: BaSnO{sub 3} and LaInO{sub 3}. We have developed epitaxial LaInO{sub 3} as the gate oxide on top of BaSnO{sub 3}, which were recently reported to possess high thermal stability and electron mobility when doped with La. We measured the dielectric properties of the epitaxial LaInO{sub 3} films, such as the band gap, dielectric constant, and the dielectric breakdown field. Using the LaInO{sub 3} as a gate dielectric and the La-doped BaSnO{sub 3} as a channel layer, we fabricated field effect device structure. The field effect mobility of such device was higher than 90 cm{sup 2} V{sup −1} s{sup −1}, the on/off ratio was larger than 10{sup 7}, and the subthreshold swing was 0.65 V dec{sup −1}. We discuss the possible origins for such device performance and the future directions for further improvement.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Homogeneous and stable p-type doping of graphene by MeV electron beam-stimulated hybridization with ZnO thin films

In this work, we demonstrate a unique and facile methodology for the homogenous and stable p-type doping of graphene by hybridization with ZnO thin films fabricated by MeV electron beam irradiation (MEBI) under ambient conditions. The formation of the ZnO/graphene hybrid nanostructure was attributed to MEBI-stimulated dissociation of zinc acetate dihydrate and a subsequent oxidation process. A ZnO thin film with an ultra-flat surface and uniform thickness was formed on graphene. We found that homogeneous and stable p-type doping was achieved by charge transfer from the graphene to the ZnO film.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Thermoelectric properties optimization of Fe{sub 2}VGa by tuning electronic density of states via titanium doping

We report the correlation between thermoelectric properties and electronic band structure of thermoelectric Heusler alloy Fe{sub 2}V{sub 1-x}Ti{sub x}Ga by comparing experimental measurements with theoretical calculations. The electrical resistivity data show that the semiconducting-like behavior of pure Fe{sub 2}VGa is transformed to a more metallic-like behavior at x = 0.1. Meanwhile, an enhancement of the Seebeck coefficient was observed for all Ti doped specimens at elevated temperatures with a peak value of 57 μV/K for x = 0.05 at 300 K. The experimental results can be elucidated by the calculated band structure, i.e., a gradual shifting of the Fermi level from the middle of the pseudogap to the region of valence bands. With optimized doping, the thermoelectric power factor can be significantly enhanced to 3.95 mW m{sup −1} K{sup −2} at room temperature, which is comparable to the power factors of Bi{sub 2}Te{sub 3}-based compounds. The synergy of thermal conductivity reduction due to the alloying effect and the significant increase of the thermoelectric power factor leads to higher order zT values than that of prime Fe{sub 2}VGa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Doping dependence of spin excitations and its correlations with high-temperature superconductivity in iron pnictides

High-temperature superconductivity in iron pnictides occurs when electrons and holes are doped into their antiferromagnetic parent compounds. Since spin excitations may be responsible for electron pairing and superconductivity, it is important to determine their electron/hole-doping evolution and connection with superconductivity. Here we use inelastic neutron scattering to show that while electron doping to the antiferromagnetic BaFe 2 As 2 parent compound modifies the low-energy spin excitations and their correlation with superconductivity (<50 meV) without affecting the high-energy spin excitations (>100 meV), hole-doping suppresses the high-energy spin excitations and shifts the magnetic spectral weight to low-energies. In addition, our absolute spin susceptibility measurements for the optimally hole-doped iron pnictide reveal that the change in magnetic exchange energy below and above T C can account for the superconducting condensation energy. These results suggest that high-T C superconductivity in iron pnictides is associated with both the presence of high-energy spin excitations and a coupling between low-energy spin excitations and itinerant electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Optical electron spin orientation in Ga-doped and undoped ZnO films

We have studied the optical orientation and polarization relaxation dynamics of electron spins in Ga-doped and undoped ZnO films by time-resolved Kerr rotation (TRKR). In the Ga-doped film, we have observed a long-lived spin signal more than 10 ns when the pump-probe energy is resonant to the neutral donor-bound excitons (D deg. X). It is not observed in the undoped film. Meanwhile, when the energy is resonant to free excitons, faster spin relaxation of about 2 ns is observed for itinerant electrons in both the films. The optical spin orientation is always parallel to the c-axis in the ZnO films, and independent of the pump incidence angle. This contrasts with the observation in crystals with the zincblende structure.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Magnetic and Electronic Properties of Gd-Doped Topological Insulator Bi{sub 1.09}Gd{sub 0.06}Sb{sub 0.85}Te{sub 3}

The recent realization of quantum anomalous Hall effect and Majorana fermions observation enhance interest in magnetism investigation in topological insulators. In this work, the electronic and magnetic structure of the Gd-doped topological insulator Bi{sub 1.09}Gd{sub 0.06}Sb{sub 0.85}Te{sub 3} were systematically studied by means of angle-resolved photoemission spectroscopy, resonance photoemission spectroscopy (ResPES) and SQUID magnetometry. Resonant features related to the Gd density of states near the Fermi level are experimentally observed. Study of magnetic structure showed antiferromagnetic ordered bulk at low temperatures as well as presence of hysteresis loop at elevated temperatures. Finally, possible mechanism of magnetism and its relation to observed electronic features are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermally evaporated mechanically hard tin oxide thin films for opto-electronic apllications

Tungsten doped tin oxide (WTO) and Molybdenum doped tin oxide (MoTO) thin film were deposited on corn glass by thermal evaporation method. The films were annealed at 350°C for one hour. Structural analysis using Xray diffraction data shows both the films are polycrystalline in nature with monoclinic structure of tin oxide, Sn{sub 3}O{sub 4}, corresponding to JCPDS card number 01-078-6064. SEM photograph showed that both the films have spherical grains with size in the range of 20–30 nm. Compositional analysis was carried out using EDS which reveals the presence of Sn, O and the dopant Mo/W only thereby indicating the absence of any secondary phase in the films. The films are found to contain nearly 6 wt% of Mo, 8 wt% of W as dopants respectively. The transmission pattern for both the films in the spectral range 200 – 2000 nm shows that W doping gives a transparency of nearly 80% from 380 nm onwards while Mo doping has less transparency of 39% at 380nm. Film hardness measurement using Triboscope shows a film hardness of about 9–10 GPa for both the films. It indicates that W or M doping in tin oxide provides the films the added advantage of withstanding the mechanical wear and tear due to environmental fluctuations By optimizing the optical and electrical properties, W/Mo doped tin oxide films may be explored as window layers in opto-electronic applications such as solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Influence of gadolinium doping on structural, optical, and electronic properties of polymeric graphitic carbon nitride

Polymeric graphitic carbon nitride (gCN) materials have received great attention in the fields of photo and electrocatalysis due to their distinct properties in metal-free systems with high physicochemical stability. Nevertheless, the activity of undoped gCN is limited due to its relatively low specific surface area, low conductivity, and poor dispersibility. Doping Gd atoms in a gCN matrix is an efficient strategy to fine-tune its catalytic activity and its electronic structure. Herein, the influence of various wt% of gadolinium (Gd) doped in melon-type carbon nitride was systematically investigated. Gadolinium-doped graphitic carbon nitride (GdgCN) was synthesized by adding gadolinium nitrate to dicyandiamide during polymerization. The X-ray diffraction (XRD) and transmission electron microscopy (TEM) results revealed that the crystallinity and the morphological properties are influenced by the % of Gd doping. Furthermore, X-ray photoelectron spectroscopy (XPS) studies revealed that the gadolinium ions bonded with nitrogen atoms. Complementary density functional theory (DFT) calculations illustrate possible bonding configurations of Gd ions both in bulk material and on ultrathin melon layers and provide evidence for the corresponding bandgap modifications induced by gadolinium doping.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Doping of Cr in Graphene Using Electron Beam Manipulation for Functional Defect Engineering

Chromium atoms in graphene have been proposed to exhibit magnetic moments and spin-selective conducting states depending on the local bonding geometry within the graphene structure, which could lead to interesting applications in spintronics. Despite this interest, there are few direct experimental reports of Cr dopants in graphene even though it is theorized to be stable. Here, we demonstrate the introduction of single Cr dopant atoms into the graphene lattice and onto graphene edges through the controlled use of a focused electron beam in a scanning transmission electron microscope. Here, we show local control of doping locations, and when coupled with targeted in situ milling during scanning of the e-beam, these strategies demonstrate an important component of the fabrication of tailored nanostructured devices in the electron microscope. The approach is validated with first-principles calculations to understand synthesis pathways during fabrication and reveal the energetics and local properties of Cr atoms embedded in graphene; for example, Cr doping can convert graphene into a magnetic and semiconducting material, which suggests Cr-doped graphene can be used as a building block for potential electronic devices and a means to construct them.

36 MATERIALS SCIENCE↗
DOE OSTI2014

On the variations of optical property and electronic structure in heavily Al-doped ZnO films during double-step growth process

We have investigated the variations of optical property and electronic structure in heavily Al-doped ZnO (AZO) films during the growth process, which were formed by first creating Zn vacancies in O{sub 2}-rich atmosphere and second filling the vacancies with Zn atoms in Zn-vapor atmosphere. After the first step, the high-resistance AZO films have the same optical bandgap with nominally undoped ZnO, indicating that negligible variations in the fundamental bandgap happened to the AZO films although Al atom was incorporated into the ZnO lattice. After the second step, once free electrons were brought into the lattice by Zn-filling, the optical transition energy blueshifts due to the band-filling effect. X-ray absorption fine structure measurements suggest that Zn-filling process decreased the unoccupied states of the conduction band, but not raised the conduction band minimum.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Mechanical and transparent conductive properties of ZnO and Ga-doped ZnO films sputtered using electron-cyclotron-resonance plasma on polyethylene naphtalate substrates

Transparent conductive ZnO and Ga-doped ZnO (GZO) films were deposited on polyethylene naphtalate (PEN) sheet substrates using electron cyclotron resonance plasma sputtering. Both ZnO and GZO films were highly adhesive to the PEN substrates without inserting an intermediate layer in the interface. When compared at the same thickness, the transparent conductive properties of GZO films on PEN substrates were only slightly inferior to those on glass substrates. However, the carrier concentration of ZnO films on PEN substrates was 1.5 times that of those on glass substrates, whereas their Hall mobility was only 60% at a thickness of 300 nm. The depth profile of elements measured by secondary ion mass spectroscopy revealed the diffusion of hydrocarbons out of the PEN substrate into the ZnO film. Hence, doped carbons may act as donors to enhance carrier concentration, and the intermixing of elements at the interface may deteriorate the crystallinity, resulting in the lower Hall mobility. When the ZnO films were thicker than 400 nm, cracks became prevalent because of the lattice mismatch strain between the film and the substrate, whereas GZO films were free of cracks. The authors investigated how rolling the films around a cylindrical pipe surface affected their conductive properties. Degraded conductivity occurred at a threshold pipe radius of 10 mm when tensile stress was applied to the film, but it occurred at a pipe radius of 5 mm when compressive stress was applied. These values are guidelines for bending actual devices fabricated on PEN substrates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

A broken translational symmetry state in an infinite-layer nickelate

A defining signature of strongly correlated electronic systems is a rich phase diagram, which consists of multiple broken symmetries, such as magnetism, superconductivity, and charge order. In the recently discovered nickelate superconductors a large antiferromagnetic exchange energy has been reported, which implies the existence of strong electronic correlations. However, signatures of a broken-symmetry state other than superconductivity have not yet been observed. Here, we observe charge ordering in infinite-layer nickelates La 1-x Sr x NiO 2 using resonant x-ray scattering. The parent compound orders along the Ni-O bond direction with an incommensurate wave vector, distinct from the stripe order observed in other nickelates that propagates along a direction 45º to the Ni-O bond. The resonance profile we measure indicates that ordering originates from the nickelate layers and induces a parasitic charge modulation of lanthanum electrons. After doping, the charge order diminishes and its wave vector shifts toward commensurate, indicating that strong electronic correlations are likely to be responsible for the ordered state. Our results suggest that the existence of charge order and its potential interplay with antiferromagnetic fluctuations and superconductivity are important themes in nickel-based superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Measurement of the conduction band spin-orbit splitting in $\mathrm{WSe_2}$ and $\mathrm{WS_2}$ monolayers

We have investigated charge tunable devices based on $\mathrm{WSe_2}$ and $\mathrm{WS_2}$monolayers encapsulated in hexagonal boron nitride. In addition to the well-known radiative recombination of neutral and charged excitons, stationary photoluminescence measurements highlight a weaker-intensity optical transition that appears when the monolayer is electrostatically doped with electrons. We have carried out a detailed characterization of this photoluminescence line based on its doping dependence, its variation as a function of the optical excitation power, its polarization characteristics, and its g factor measured under longitudinal magnetic field. We interpret this luminescence peak as an impurity-assisted radiative recombination of the intervalley negatively charged exciton (triplet trion). In addition to the standard direct recombination, the triplet trion has a second recombination channel triggered by elastic scattering off the short-range impurity potential. The energy difference between the emitted photons from these two possible recombination processes of the same triplet trion is simply the single-particle conduction band spin-orbit splitting Δ c . We measure Δ c = 12 ± 0.5 meV for the $\mathrm{WSe_2}$ monolayer and Δ c = 12 ± 1 meV for the $\mathrm{WS_2}$ monolayer. Here, these results demonstrate the importance of second-order exciton recombination processes in transition-metal dichalcogenide structures.

2-dimensional systems↗