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Results for “modulation doping”

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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

A comparative investigation on structure and multiferroic properties of bismuth ferrite thin films by multielement co-doping

Highlights: • Multielement (Tb, Cr and Mn) co-doped BiFeO{sub 3} films were fabricated by CSD method. • Multielement co-doping induces a structural transition. • It is found effective to stabilize the valence of Fe ions at +3 by the strategy. • The co-doping at A/B-sites gives rise to the superior multiferroic properties. - Abstract: (Tb, Cr and Mn) multielement co-doped BiFeO{sub 3} (BTFCMO) thin films were prepared by the chemical solution deposition method on fluorine doped tin oxide (FTO) substrates. X-ray diffraction, Rietveld refinement and Raman analyses revealed that a phase transition from rhombohedral to triclinic structure occurs in the multielement co-doped BiFeO{sub 3} films. It is found that the doping is conducive to stabilizing the valence of Fe ions and reducing leakage current. In addition, the highly enhanced ferroelectric properties with a huge remanent polarization (2P{sub r}) of 239.6 μC/cm{sup 2} and a low coercive field (2E{sub c}) of 615.6 kV/cm are ascribed to the well film texture, the structure transition and the reduced leakage current by the co-doping. Moreover, the structure transition is the dominant factor resulting in the significant enhancement observed in magnetization (M{sub s} ∼ 10.5 emu/cm{sup 3}), owing to the collapse of the space-modulated spin structure. In this contribution, these results demonstrate that the multielement co-doping is in favor of the enhanced multiferroic properties of the BFO films for possible multifunctional applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Layer Resolved Cr Oxidation State Modulation in Epitaxial SrFe 0.67 Cr 0.33 O 3−δ Thin Films

Understanding how doping influences physicochemical properties of ABO 3 perovskite oxides is critical for tailoring their functionalities. In this study, SrFe 0.67 Cr 0.33 O 3−δ epitaxial thin films were used to examine the effects of Fe and Cr competition on structure and B-site cation oxidation states. The films exhibit a perovskite-like structure near the film/substrate interface, while a brownmillerite-like structure with horizontal oxygen vacancy channels predominates near the surface. Electron energy loss spectroscopy shows Fe remains Fe 3+ , while Cr varies from ∼Cr 3+ (tetrahedral layers) to ∼Cr 4+ (octahedral layers) within brownmillerite phases and becomes ∼Cr 4.5+ in perovskite-like phases. Theoretical simulations indicate that Cr–O bond arrangements and the way oxygen vacancies interact with Cr and Fe drive Cr charge disproportionation. High-valent Cr cations introduce additional densities of states near the Fermi level, reducing the optical bandgap from ∼2.0 eV (SrFeO 2.5 ) to ∼1.7 eV (SrFe 0.67 Cr 0.33 O 3−δ ). In conclusion, these findings offer insights into B-site cation doping in the perovskite oxide framework.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Novel Superionic Na Conductors for Solid‐State Na batteries: Materials and Interface

This project aims to advance the fundamental understanding on how the cation or anion doping influence on the crystal structure, phase stability and ion transport of novel Na superionic conductors. Specifically, we focus on the Na 3-x A x SbS 4-y X y family solid electrolytes (A: cation dopant, X: anion dopant), a class of promising materials for all-solid-state sodium batteries owing to their high ionic conductivity and compositional tunability. By integrating materials synthesis, neutron scattering, and electrochemical characterization and theoretical simulations, this project sees to elucidate 1) how does the synthesis approaches (solid-state reaction, low-temperature reaction) on the phase purity and doping process; 2) how chemical doping (A: cation dopants such as Sn; X: anion dopants such as Se, F) modulate lattice dynamics and Na+ migration as well as interface stability toward Na metal. Specifically, this project’s proposed technology involves three objectives: (1) synthesize novel Na-ion conductors (anion or cation doped Na 3 SbS 4 ) with high phase purity and examine their structural features (e.g., phase stability); (2) understand Na-ion conductive properties of new Na-ion conductors through a combination of experimental characterizations and theoretical simulations; (3) investigate the interface stability of novel Na superionic conductors with electrode materials in solid-state Na batteries. These objectives will be achieved through combined experimental synthesis/characterizations and computational approaches. The obtained knowledge will provide a comprehensive synthesis-structure-property correlation, enabling the rational design of novel solid-state conductors with excellent conductivity and stability.

25 ENERGY STORAGE↗
DOE OSTI2022

Observation of an intermediate state during lithium intercalation of twisted bilayer MoS2

Abstract Lithium intercalation of MoS 2 is generally believed to introduce a phase transition from H phase (semiconducting) to T phase (metallic). However, during the intercalation process, a spatially sharp boundary is usually formed between the fully intercalated T phase MoS 2 and non-intercalated H phase MoS 2 . The intermediate state, i.e ., lightly intercalated H phase MoS 2 without a phase transition, is difficult to investigate by optical-microscope-based spectroscopy due to the narrow size. Here, we report the stabilization of the intermediate state across the whole flake of twisted bilayer MoS 2 . The twisted bilayer system allows the lithium to intercalate from the top surface and enables fast Li-ion diffusion by the reduced interlayer interaction. The E 2g Raman mode of the intermediate state shows a peak splitting behavior. Our simulation results indicate that the intermediate state is stabilized by lithium-induced symmetry breaking of the H phase MoS 2 . Our results provide an insight into the non-uniform intercalation during battery charging and discharging, and also open a new opportunity to modulate the properties of twisted 2D systems with guest species doping in the Moiré structures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multiorbital charge-density wave excitations and concomitant phonon anomalies in Bi 2 Sr 2 LaCuO 6+δ

Charge-density waves (CDWs) are ubiquitous in underdoped cuprate superconductors. As a modulation of the valence electron density, CDWs in hole-doped cuprates possess both Cu-3d and O-2p orbital character owing to the strong hybridization of these orbitals near the Fermi level. Here, we investigate underdoped Bi 2 Sr 1.4 La 0.6 CuO 6+δ using resonant inelastic X-ray scattering (RIXS) and find that a short-range CDW exists at both Cu and O sublattices in the copper-oxide (CuO 2 ) planes with a comparable periodicity and correlation length. Furthermore, we uncover bond-stretching and bond-buckling phonon anomalies concomitant to the CDWs. Comparing to slightly overdoped Bi 2 Sr 1.8 La 0.2 CuO 6+δ , where neither CDWs nor phonon anomalies appear, we highlight that a sharp intensity anomaly is induced in the proximity of the CDW wavevector (Q CDW ) for the bond-buckling phonon, in concert with the diffused intensity enhancement of the bond-stretching phonon at wavevectors much greater than Q CDW . Our results provide a comprehensive picture of the quasistatic CDWs, their dispersive excitations, and associated electron-phonon anomalies, which are key for understanding the competing electronic instabilities in cuprates.

36 MATERIALS SCIENCE↗
DOE OSTI2016

From Complex Magnetism Ordering to Simple Ferromagnetism in Two-Dimensional LaCrSb 3 by Hole Doping

Competing orders widely exist in many material systems, such as superconductivity, magnetism, and ferroelectricity; LaCrSb 3 is a highly anisotropic magnetic material in which the spins are aligned ferromagnetically in one direction and canted antiferromagnetically in another in the Cr-Sb chains. Hole doping with Sr 2+ and Ca 2+ in the La site suppresses the antiferromagnetic correlations and transforms the anisotropic magnetic order into a ferromagnetic lattice in all directions. Here, first-principles density functional theory calculations show that the canted magnetic order becomes energetically less favorable compared to the FM order upon hole doping. Doping in the La site is an effective approach to modulate the competing orders in LaCrSb 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2011

Unique properties of CuZrAl bulk metallic glasses induced by microalloying

We studied the glass forming abilities (GFA), mechanical, and physical properties of (CuZr){sub 92.5}Al{sub 7}X{sub 0.5} (X = La, Sm, Ce, Gd, Ho, Y, and Co) bulk metallic glasses (BMGs). We find that the GFA, mechanical, and physical properties can be markedly changed and modulated by the minor rare earth addition. The Kondo screening effect is found to exist in (CuZr){sub 92.5}Al{sub 7}Ce{sub 0.5} BMG at low temperatures and the Schottky effect exists in all the rare earth element doped BMGs. Our results indicate that the minor addition is an effective way for modulating and getting desirable properties of the BMGs. The mechanisms of the effects of the addition are discussed. The results have implications for the exploration of metallic glasses and for improving the mechanical and low temperature physical properties of BMGs.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Electronic and magnetic tunability of Sr{sub 2}CrReO{sub 6} films by growth-mediated oxygen modulation

Highly ordered epitaxial films of ferrimagnetic semiconductor Sr{sub 2}CrReO{sub 6} (SCRO) have been fabricated by off-axis magnetron sputtering, and characterized as a function of the oxygen partial pressure. In this Letter, we report 18 000% modulation in electrical resistivity at T = 7K (60% at room temperature) from a 1% modulation in the oxygen partial pressure during film growth. The growth window was centered at peak saturation magnetization, which drops due to both increasing and decreasing oxygen growth pressure. The results suggest that n-type doping due to oxygen vacancies plays a dominant role in the electrical properties and modulation of Sr{sub 2}CrReO{sub 6} thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Building a free-energy functional from atomically resolved imaging: Atomic-scale phenomena in La-doped BiFe O 3

Scanning transmission electron microscopy (STEM) has enabled mapping of atomic structures of solids with sub-picometer precision, providing insight to the physics of ferroic phenomena and chemical expansion. Yet, only a subset of information is available, due to projective nature of imaging in the beam direction. Correspondingly, the analysis often relies on the postulated form of macroscopic Landau-Ginzburg energy for the ferroic long-range order parameter, and some predefined relationship between experimentally determined atomic coordinates and the order-parameter field. Here, we propose an approach for exploring the structure of ferroics using reduced order-parameter models constructed based on experimental data only. We develop a four-sublattice model (FSM) for the analytical description of A -cation displacement in (anti)ferroelectric-antiferrodistortive perovskites of ABO 3 type. The model describes the displacements of cation A in four neighboring unit cells and determines the conditions of different structural phases’ appearance and stability in ABO 3 . We show that FSM explains the coexistence of rhombohedral, orthorhombic, and spatially modulated phases, observed by atomic-resolution STEM in La-doped BiFeO 3 . Using this method, we atomically resolve and theoretically model the sublattice asymmetry inherent to the case of the A -site La/Bi cation sublattice in La x Bi 1- x FeO 3 polymorphs. This approach allows the exploration of ferroic behaviors from experimental data only, without additional assumptions on the nature of the order parameter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Modulating charge transport via 2 MeV He + irradiation in VO 2

Vanadium dioxide (VO 2 ) is of interest for adaptive electronic applications such as neuromorphic neuristor devices and variable emissivity or tunable thermal control materials, thanks to its key property—a metal–insulator transition (MIT) at 68 °C that is accompanied by a dramatic change in electrical and optical properties. To improve performance in these roles, it is critical to develop approaches to engineer transport properties and the MIT behavior. While many documented techniques exist to modulate the MIT and film resistivities via lattice strain and chemical doping, less is known about the effects of ion irradiation on the intrinsic properties of VO 2 , despite the ability to control the spatial distribution of irradiation beams and the prevalence of high energy ion implantation in the semiconductor industry. The impact of irradiation of different acceleration energies on the responses of VO 2 is of specific interest, as charged particle energy generally impacts both the resulting defect profile and corresponding transport behavior. Here, we demonstrate that 2 MeV He ions at equivalent calculated displacements per atom, in two different types of films, can create remarkable changes to the nature of charge transport in VO 2 , especially in the low-temperature insulating phase. Simulation of resulting changes in electrical conductivity reveals that He ion irradiation offers a strategy to increase both oscillation frequency and the signal transmission. These results provide insights into the intentional design of defect populations to modulate transport for neuromorphic VO 2 devices.

Gurrola, Rebeca M. [Texas A & M Univ., College Sta↗
DOE OSTI2019

Enhanced magnetism in lightly doped manganite heterostructures: strain or stoichiometry?

Lattice mismatch induced epitaxial strain has been widely used to tune functional properties in complex oxide heterostructures. Apart from the epitaxial strain, a large lattice mismatch also produces other effects including modulations in microstructure and stoichiometry. However, it is challenging to distinguish the impact of these effects from the strain contribution to thin film properties. Here, we use La 0.9 Sr 0.1 MnO 3 (LSMO), a lightly doped manganite close to the vertical phase boundary, as a model system to demonstrate that both epitaxial strain and cation stoichiometry induced by strain relaxation contribute to functionality tuning. The thinner LSMO films are metallic with a greatly enhanced T C which is 97 K higher than the bulk value. Such anomalies in T C and transport cannot be fully explained by the epitaxial strain alone. Detailed microstructure analysis indicates La deficiency in thinner films and twin domains formation in thicker films. Our results have revealed that both epitaxial strain and strain relaxation induced stoichiometry/microstructure modulations contribute to the modified functional properties in lightly doped manganite perovskite thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Yb-doped fiber laser mode-locked with Au nanocages/SiO{sub 2} saturable absorber

Au nanocages/SiO{sub 2} (Au-NCs/SiO{sub 2}) are prepared through a seed-mediated growth method, and the performance is investigated in an all-fiber passively mode-locked ytterbium-doped fiber laser, for the first time. Its saturating intensity and modulation depth are measured to be about 0.461 MW/cm{sup 2} and 5.3%, respectively. With the Au-NCs/SiO{sub 2} saturable absorbers (SA) film, the pulse with the pulse duration of 1.116 ns and repetition rate of 32.02 MHz was generated at 1063.14 nm, under the pump power of 342 mW. And the corresponding average output power of 4.82 mW was obtained. These results indicate that Au-NCs/SiO{sub 2} has excellent saturable absorption properties with the potential for important applications in the field of ultra-short pulse lasers.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Charge modulation as fingerprints of phase-string triggered interference

Charge order appears to be an ubiquitous phenomenon in doped Mott insulators, which is currently under intense experimental and theoretical investigations particularly in the high T c cuprates. This phenomenon is conventionally understood in terms of Hartree-Fock-type mean-field theory. Here we demonstrate a mechanism for charge modulation which is rooted in the many-particle quantum physics arising in the strong coupling limit. Specifically, we consider the problem of a single hole in a bipartite t - J ladder. As a remnant of the fermion signs, the hopping hole picks up subtle phases pending the fluctuating spins, the so-called phase-string effect. We demonstrate the presence of charge modulations in the density matrix renormalization group solutions which disappear when the phase strings are switched off. This form of charge modulation can be understood analytically in a path-integral language with a mean-field-like approximation adopted, showing that the phase strings give rise to constructive interferences leading to self-localization. When the latter occurs, left- and right-moving propagating modes emerge inside the localization volume and their interference is responsible for the real space charge modulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Synergistic Evolution of Segmental Motion and Cooperative Relaxation within the Amorphous Phase of Organic Mixed Ionic-Electronic Conductors

Organic mixed ionic-electronic conductors (OMIECs) facilitate a variety of electrochemical processes and feature a heterogeneous microstructure composed of both crystalline and amorphous phases. However, structural evolution in amorphous regions during electrochemical doping remains poorly understood, limiting our understanding of mixed conduction mechanisms. Here, in this work, we develop operando chip calorimetry to probe amorphous phase evolution in poly­(3,4-ethylenedioxythiophene):poly­(styrenesulfonate) (PEDOT:PSS) under swelling and electrochemical (de)­doping. Our results reveal that amorphous regions providing ionic transport pathways and those within electronic transport channels undergo heterogeneous, yet synergistic, evolution during electrochemical modulation. The cooperative interplay between segmental motion and relaxation maintains ionic conductivity and intergrain electronic transport upon electrowetting and doping, while facilitating efficient ion hopping and adaptable chain conformations during dedoping. Such synergies are more pronounced in loose structures featuring a fibrillar morphology, which exhibit lower glass transition temperatures (T g ) and higher fragility (m). High-throughput robotic screening further establishes a strong correlation between elevated m/T g ratios and enhanced mixed conduction. These findings elucidate the role of the amorphous phase in the synthesis of OMIECs and underscore the potential of operando chip calorimetry in uncovering structure–property relationships in electroactive polymers.

amorphous phase↗
DOE OSTI2020

Biexciton Condensation in Electron-Hole-Doped Hubbard Bilayers: A Sign-Problem-Free Quantum Monte Carlo Study

The bilayer Hubbard model with electron-hole doping is an ideal platform to study excitonic orders due to suppressed recombination via spatial separation of electrons and holes. However, suffering from the sign problem, previous quantum Monte Carlo studies could not arrive at an unequivocal conclusion regarding the presence of phases with clear signatures of excitonic condensation in bilayer Hubbard models. Here, we develop a determinant quantum Monte Carlo algorithm for the bilayer Hubbard model that is sign-problem-free for equal and opposite doping in the two layers and study excitonic order and charge and spin density modulations as a function of chemical potential difference between the two layers, on-site Coulomb repulsion, and interlayer interaction. In the intermediate coupling regime and in proximity to the SU(4)-symmetric point, we find a biexcitonic condensate phase at finite electron-hole doping, as well as a competing (π, π) charge density wave state. In this study, we extract the Berezinskii-Kosterlitz-Thouless transition temperature from superfluid density and a finite-size scaling analysis of the correlation functions and explain our results in terms of an effective biexcitonic hard-core boson model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ohmic contact formation of metal/amorphous-Ge/n-Ge junctions with an anomalous modulation of Schottky barrier height

The modulation of Schottky barrier height of metal/Ge inserting an amorphous Ge layer has been demonstrated. It is interested that the Schottky barrier height of Al/amorphous-Ge/n-Ge junctions is oscillated with increase of the a-Ge thickness from 0 to 10 nm, and when the thickness reaches above 10 nm, the Al/amorphous-Ge/n-Ge shows ohmic characteristics. Electron hopping through localized states of a-Ge layer, the alleviation of metal induced gap states, as well as the termination of dangling bonds at the amorphous-Ge/n-Ge interface are proposed to explain the anomalous modulation of Schottky barrier height.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

25 Gb s{sup −1} data transmission using a bismuth-doped fibre amplifier with a gain peak shifted to 1300 nm

Using a bismuth-doped aluminosilicate fibre laser tunable in the range 1130–1210 nm, we have examined the effect of pump wavelength on the gain spectrum of bismuth-doped phosphosilicate fibres in the range 1220–1400 nm. At a pump wavelength of 1195 nm, we obtained a peak gain wavelength of 1300 nm, which is near the centre of the standard range for O-band transmission (1270–1320 nm) in fibre-optic communication links, in particular between data centres. Using a bismuth-doped phosphosilicate fibre amplifier pumped at 1195 nm, we have demonstrated that the transmission distance for a signal from a semiconductor laser diode directly modulated at 25 Gb s{sup −1} [on – off keying (OOK) modulation] can be increased for G.652 fibre from the standard 10 to 80 km or even more. (letters)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Well‐Dispersed Nickel‐ and Zinc‐Tailored Electronic Structure of a Transition Metal Oxide for Highly Active Alkaline Hydrogen Evolution Reaction

Abstract The practical scale‐up of renewable energy technologies will require catalysts that are more efficient and durable than present ones. This is, however, a formidable challenge that will demand a new capability to tailor the electronic structure. Here, an original electronic structure tailoring of CoO by Ni and Zn dual doping is reported. This changes it from an inert material into one that is highly active for the hydrogen evolution reaction (HER). Based on combined density functional theory calculations and cutting‐edge characterizations, it is shown that dual Ni and Zn doping is responsible for a highly significant increase in HER activity of the host oxide. That is, the Ni dopants cluster around surface oxygen vacancy of the host oxide and provide an ideal electronic surface structure for hydrogen intermediate binding, while the Zn dopants distribute inside the host oxide and modulate the bulk electronic structure to boost electrical conduction. As a result, the dual‐doped Ni, Zn CoO nanorods achieve current densities of 10 and 20 mA cm −2 at overpotentials of, respectively, 53 and 79 mV. This outperforms reported state‐of‐the‐art metal oxide, metal oxide/metal, metal sulfide, and metal phosphide catalysts.

Ling, Tao↗