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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Magnetic structure and domain conversion of the quasi-2D frustrated antiferromagnet CuCrO{sub 2} probed by NMR

We have carried out {sup 63,65}Cu NMR spectra measurements in a magnetic field up to about 15.5 T on a single crystal of the multiferroic triangular-lattice antiferromagnet CuCrO{sub 2}. The measurements were performed for perpendicular and parallel orientations of the magnetic field with respect to the c axis of the crystal, and the detailed angle dependence of the spectra on the magnetic field direction in the ab plane was studied. The shape of the spectra can be well described in the model of spiral spin structure proposed by recent neutron diffraction experiments. When the field is rotated perpendicular to the crystal c axis, we observed, directly for the first time, a remarkable reorientation of the spin plane simultaneous with rotation of the incommensurate wavevector, by quantitatively deducing the conversion of the energetically less favorable domain to a more favorable one. At high enough fields parallel to the c axis, the data are consistent with either a field-induced commensurate spiral magnetic structure or an incommensurate spiral magnetic structure with a disorder in the c direction, suggesting that high fields may have influence on interplanar ordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Revealing ferroelectric switching character using deep recurrent neural networks

The ability to manipulate domains underpins function in applications of ferroelectrics. While there have been demonstrations of controlled nanoscale manipulation of domain structures to drive emergent properties, such approaches lack an internal feedback loop required for automatic manipulation. Here, using a deep sequence-to-sequence autoencoder we automate the extraction of latent features of nanoscale ferroelectric switching from piezoresponse force spectroscopy of tensile-strained PbZr 0.2 Ti 0.8 O 3 with a hierarchical domain structure. We identify characteristic behavior in the piezoresponse and cantilever resonance hysteresis loops, which allows for the classification and quantification of nanoscale-switching mechanisms. Specifically, we identify elastic hardening events which are associated with the nucleation and growth of charged domain walls. This work demonstrates the efficacy of unsupervised neural networks in learning features of a material's physical response from nanoscale multichannel hyperspectral imagery and provides new capabilities in leveraging in operando spectroscopies that could enable the automated manipulation of nanoscale structures in materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Polarization-dependent photoemission electron microscopy for domain imaging of inorganic and molecular materials

Polarization-dependent photoemission electron microscopy (PD-PEEM) exploits spatial variation in the optical selection rules of materials to image domain formation and material organization on the nanoscale. In this Perspective, we discuss the mechanism of PD-PEEM that results in the observed image contrast in experiments and provide examples of a wide range of material domain structures that PD-PEEM has been able to elucidate, including molecular and polymer domains, local electronic structure and defect symmetry, (anti)ferroelectricity, and ferromagnetism. As a result, we discuss challenges and new directions that are possible with this tool for probing domain structure in materials, including investigating the formation of transient ordered states, multiferroics, and the influence of molecular and polymer order and disorder on excited state dynamics and charge transport.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Surface acoustic wave generation and detection in the quantum paraelectric regime of SrTiO 3 -based heterostructures

Strontium titanate (STO), apart from being a ubiquitous substrate for complex-oxide heterostructures, possesses a multitude of strongly coupled electronic and mechanical properties. Surface acoustic wave (SAW) generation and detection offers insight into electromechanical couplings that are sensitive to quantum paraelectricity and other structural phase transitions. Propagating SAWs can interact with STO-based electronic nanostructures, in particular LaAlO 3 /SrTiO 3 (LAO/STO). Here, we report the generation and detection of SAW within LAO/STO heterointerfaces at cryogenic temperatures ( T ≥ 2 K) using superconducting interdigitated transducers. Further, the temperature dependence shows an increase in the SAW quality factor that saturates at T ≈ 8 K. The effect of backgate tuning on the SAW resonance frequency shows the possible acoustic coupling with the ferroelastic domain wall evolution. This method of generating SAWs provides a pathway towards the dynamic tuning of ferroelastic domain structures, which are expected to influence the electronic properties of complex-oxide nanostructures. Devices that incorporate SAWs may in turn help to elucidate the role of ferroelastic domain structures in mediating electronic behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Structure and switching of in-plane ferroelectric nano-domains in strained PbxSr1-xTiO3 thin films

Nanoscale ferroelectrics, the active elements of a variety of nanoelectronic devices, develop denser and richer domain structures than the bulk counterparts. With shrinking device sizes understanding and controlling domain formation in nanoferroelectrics is being intensely studied. Here we show that a precise control of the epitaxy and the strain allows stabilizing a hierarchical domain architecture in PbxSr1-xTiO3 thin films, showing periodic, purely in-plane polarized, ferroelectric nano-domains that can be switched by a scanning probe.

epitaxial thin films↗
DOE OSTI2016

Canted stripe phase evolution due to a spin reorientation transition in Fe films grown on Ag(001) vicinal surface

The evolution of the domain structure with the thickness of bcc Fe films deposited on the Ag(116) vicinal surface is studied by spin-polarized low-energy electron microscopy. We show that a spin reorientation transition proceeds via two mechanisms: continuous rotation of magnetization within the vertical plane perpendicular to the steps and discontinuous reorientation of the in-plane component of magnetization, leading to splitting of the domains. In contrast to previously investigated systems with stripe domains, we reveal that in the case of a vicinal ferromagnetic surface, the domain width increases while changing the orientation of the magnetization from a canted out-of-plane state into an in-plane state. Finally, a theoretical model developed in this work successfully describes the domain structure behavior observed in our experiments and can be equally applied to other ferromagnetic films grown on vicinal surfaces.

domain walls↗
DOE OSTI2019

Atomic and electronic structure of domains walls in a polar metal

Polar metals counterintuitively bring two well-known phenomena into coexistence, namely, bulk polar displacements, and an electronic Fermi surface giving rise to metallic conduction. Furthermore, little is known about the polar domains or domain walls in such materials. Using atomic resolution electron microscopy imaging combined with first principles density functional theory, we show that uncharged head-to-tail walls, and “charged” head-to-head and tail-to-tail walls can exist in the bulk of such crystals of polar metals Ca 3 Ru 2 O 7 , where both structural changes at the wall as well as electrostatic considerations define the wall nature. Significant built-in potentials of 30–170 meV are predicted at such walls.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Electron density distribution and crystal structure of 27R-AlON, Al{sub 9}O{sub 3}N{sub 7}

The crystal structure of Al{sub 9}O{sub 3}N{sub 7} was characterized by laboratory X-ray powder diffraction (CuKα{sub 1}). The title compound is trigonal with space group R3-bar m (centrosymmetric). The hexagonal unit-cell dimensions (Z=3) are a=0.30656(2) nm, c=7.2008(3) nm and V=0.58605(5) nm{sup 3}. The initial structural model was derived by the powder charge-flipping method and subsequently refined by the Rietveld method. The final structural model showed the positional disordering of two of the five types of Al sites. The maximum-entropy method-based pattern fitting method was used to confirm the validity of the split-atom model, in which conventional structure bias caused by assuming intensity partitioning was minimized. The disordered crystal structure was successfully described by overlapping five types of domains with ordered atom arrangements. The distribution of atomic positions in one of the five types of domains can be achieved in the space group R3{sup ¯}m. The atom arrangements in the four other domains are noncentrosymmetric with the space group R3m. Two of the four types of domains are related by a pseudo-symmetry inversion, and the two remaining domains also have each other the inversion pseudo-symmetry. The very similar domain structure has been also reported for 21R-AlON (Al{sub 7}O{sub 3}N{sub 5}) in our previous study. - Graphical abstract: A bird’s eye view of electron densities up to 50% (0.074 nm{sup −3}) of the maximum on the plane parallel to (110) with the corresponding atomic arrangements of Al{sub 9}O{sub 3}N{sub 7}. Highlights: • Crystal structure of Al{sub 9}O{sub 3}N{sub 7} is determined by laboratory X-ray powder diffraction. • The atom arrangements are represented by the split-atom model. • The maximum-entropy method-based pattern fitting method is used to confirm the validity of the model. • The disordered structure is described by overlapping five types of domains with ordered atom arrangements.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Single-spin sensing of domain-wall structure and dynamics in a thin-film skyrmion host

Skyrmions are nanoscale magnetic structures with features promising for future low-power memory or logic devices. In this work, we demonstrate scanning techniques based on nitrogen vacancy center magnetometry that simultaneously probe both the magnetic dynamics and structure of room temperature skyrmion bubbles in a thin-film system Ta/CoFeB/MgO. We confirm the handedness of the Dzyaloshinskii-Moriya interaction in this material and extract the magnitude of the helicity angle of the skyrmion bubbles. Our measurements also show that the skyrmion bubbles in this material change size in discrete steps, dependent on the local pinning environment, with their average size determined dynamically as their domain walls hop between pinning sites. In addition, an increase in magnetic field noise is observed near skyrmion bubble domain walls. These measurements highlight the importance of interactions between internal degrees of freedom of skyrmion bubble domain walls and pinning sites in thin-film systems. Furthermore, our observations have relevance for future devices based on skyrmion bubbles where pinning interactions will determine important aspects of current-driven motion.

36 MATERIALS SCIENCE↗
DOE OSTI2025

X-ray-diffraction and electrical-transport imaging of superconducting superhydride (La,Y)H 10

Understanding how microscopic structural domains govern macroscopic electronic properties is central to advancing hydride superconductors, yet such correlations remain poorly resolved under pressure. We report the synthesis and characterization of (La 0.9 Y 0.1 )H 10 superhydrides exhibiting coexisting cubic $Fm\bar{3}m$ and $P6_3/mmc$ hexagonal clathrate phases observed over the pressure range from 168 GPa down to 136 GPa. Using synchrotron-based X-ray diffraction imaging at the upgraded Advanced Photon Source, we spatially resolved μm-scale distributions of these phases, revealing structural inhomogeneity across the sample. Four-probe resistance measurements confirmed superconductivity with two distinct transitions: an onset at 244 K associated with the cubic phase and a second near 220 K linked to the hexagonal phase. Notably, resistance profiles collected from multiple current and voltage permutations showed variations in transition width and onset temperature that correlated with the spatial phase distribution. These findings demonstrate a direct connection between local structural domains and superconducting behavior.

Materials science↗
DOE OSTI2016

Combined effects of vertical and lateral confinement on the magnetic properties of MnAs micro and nano-ribbons

The micromagnetic domain structure of MnAs films gave place to an intense research activity in the last few years due to its potential application in magneto-electronic devices such as domain-wall track memories and logic circuits. These applications require a full knowledge of miniaturization effects on the magnetic properties of the material. In this work, X-ray photoemission electron microscopy has been used for imaging magnetic domains in lithographically fabricated MnAs ribbons, addressing the dependence of the domain configuration on film thickness and ribbon width. Our experiments show a transition from head-on to regular stripe domains below a critical width/thickness ratio w{sub c} ≈ 6. Micromagnetic simulations suggest that this transition is correlated to the magnetic structure of the surface plane. Depending on the ribbon width and thickness, the magnetic configuration is shown to evolve from flux-closure domain structure to a state of almost homogeneous magnetization, observed for narrower ribbons. The evolution of the domain structure, magnetic fraction, and magnetization with temperature has been studied across the ferromagnetic/paramagnetic transition. Our experiments show that the magnetic configuration in ribbons exhibits higher stability to temperature variations than in as-cast films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Influence of Domain Width on Vortex Nucleation in Superconductor/Ferromagnet Hybrid Structures.

We have investigated the effect of spatially inhomogenous magnetic fields on vortex nucleation in magnetically coupled superconductor/ferromagnet hybrid structures. Using low-temperature scanning tunneling microscopy and spectroscopy (LT-STM/STS) we have studied Pb/[Co-Pd] systems with slightly inhomogeneous magnetic domain width throughout the sample. Visualization of the underlying magnetic template structure is achieved through field dependent conductance maps. In the case of zero applied fields, these maps reveal the absence of vortices below a threshold domain width. At those locations with insufficient domain width to support generation of vortices in zero applied fields, nucleation can be restored through the application of an external magnetic field, with vortices nucleating above the domain parallel to the external field. For the magnetic domain width studied in this work, local tunneling spectroscopy reveals uniform superconducting critical temperature as a function of location, despite of local differences in the stray field experienced by the superconductor.

Low Temperature Superconductors↗
DOE OSTI2017

Diketopyrrolopyrrole-based polymer:fullerene nanoparticle films with thermally stable morphology for organic photovoltaic applications

Polymer:fullerene nanoparticles (NPs) offer two key advantages over bulk heterojunction (BHJ) films for organic photovoltaics (OPVs), water-processability and potentially superior morphological control. Once an optimal active layer morphology is reached, maintaining this morphology at OPV operating temperatures is key to the lifetime of a device. Here we study the morphology of the PDPP-TNT (poly{3,6-dithiophene-2-yl-2,5-di(2-octyldodecyl)-pyrrolo[3,4-c]pyrrole-1,4-dione-alt-naphthalene}):PC 71 BM ([6,6]-phenyl C 71 butyric acid methyl ester) NP system and then compare the thermal stability of NP and BHJ films to the common poly(3-hexylthiophene) (P3HT): phenyl C 61 butyric acid methyl ester (PC 61 BM) system. Finally, we find that material T g plays a key role in the superior thermal stability of the PDPP-TNT:PC 71 BM system; whereas for the P3HT:PC 61 BM system, domain structure is critical.

Holmes, Natalie P.↗
DOE OSTI2024

Localized Flexoelectric Effect Around Ba(CuNb) Nano‐Clusters in Epitaxial BiFeO 3 Films for Enhancement of Electric and Multiferroic Properties

Abstract Room‐temperature (RT) multiferroic materials have received significant research attention for various potential applications; however, their properties are not suitable for real‐world implementation. In this study, a nano‐scale localized flexoelectric effect is introduced to enhance the RT multiferroic performance of epitaxial bismuth iron oxide (BiFeO 3 ; BFO) thin films by embedding 10 mol% Ba(Cu 1/3 Nb 2/3 )O 3 (BCN) nano‐clusters into the host BFO film, which originally has a rhombohedral crystal structure. By utilizing nano‐clustering, a large out‐of‐plane coherent strain is localized around the nano‐clusters, resulting in a highly strained tetragonality of the BFO structure; subsequently, the films exhibit peculiar types of domains and domain walls, such as nano‐scale rotational vortices and antiparallel dipole configurations. These peculiar domain structures, which originate from the localized flexoelectric effect at the nano‐scale, enable excellent ferroelectric, ferromagnetic, and RT multiferroic magnetoelectric coupling. This study reveals that the local variation in the localized flexoelectric field around nano‐clusters considerably impacts the formation of unusual domain‐wall structures. This suggests that the controlled introduction of nano‐clusters with different crystal structures is promising for achieving the desired multiferroic properties.

Song, Hyunseok↗
DOE OSTI2016

Single-domain epitaxial silicene on diboride thin films

Epitaxial silicene, which forms spontaneously on ZrB 2 (0001) thin films grown on Si(111) wafers, has a periodic stripe domain structure. By adsorbing additional Si atoms on this surface, we find that the domain boundaries vanish, and a single-domain silicene sheet can be prepared without altering its buckled honeycomb structure. The amount of Si required to induce this change suggests that the domain boundaries are made of a local distortion of the silicene honeycomb lattice. LastlThe realization of a single domain sheet with structural and electronic properties close to those of the original striped state demonstrates the high structural flexibility of silicene.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Stoichiometry and mechanistic implications of the MacAB-TolC tripartite efflux pump

Highlights: • The exact stoichiometry of the MacAB-TolC pump was confirmed. • Structural comparison provides a mechanism for MacA-dependent MacB activation. • Improving understanding of the regulatory mechanisms of other efflux pumps. The MacAB-TolC tripartite efflux pump is involved in resistance to macrolide antibiotics and secretion of protein toxins in many Gram-negative bacteria. The pump spans the entire cell envelope and operates by expelling substances to extracellular space. X-ray crystal and electron microscopic structures have revealed the funnel-like MacA hexamer in the periplasmic space and the cylindrical TolC trimer. Nonetheless, the inner membrane transporter MacB still remains ambiguous in terms of its oligomeric state in the functional complex. In this study, we purified a stable binary complex using a fusion protein of MacA and MacB of Escherichia coli, and then supplemented MacA to meet the correct stoichiometry between the two proteins. The result demonstrated that MacB is a homodimer in the complex, which is consistent with results from the recent complex structure using cryo-electron microscopy single particle analysis. Structural comparison with the previously reported MacB periplasmic domain structure suggests a molecular mechanism for regulation of the activity of MacB via an interaction between the MacB periplasmic domain and MacA. Our results provide a better understanding of the tripartite pumps at the molecular level.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Unlocking Electrostrain in Plastically Deformed Barium Titanate

Achieving substantial electrostrain alongside a large effective piezoelectric strain coefficient (d 33 *) in piezoelectric materials remains a formidable challenge for advanced actuator applications. Here, in this work, a straightforward approach to enhance these properties by strategically designing the domain structure and controlling the domain switching through the introduction of arrays of ordered {100}<100> dislocations is proposed. This dislocation engineering yields an intrinsic lock-in steady–state electrostrain of 0.69% at a low field of 10 kV cm -1 without external stress and an output strain energy density of 5.24 J cm -3 in single-crystal BaTiO 3 , outperforming the benchmark piezoceramics and relaxor ferroelectric single-crystals. Additionally, applying a compression stress of 6 MPa fully unlocks electrostrains exceeding 1%, yielding a remarkable d 33 * value over 10 000 pm V -1 and achieving a record-high strain energy density of 11.67 J cm -3 . Optical and transmission electron microscopy, paired with laboratory and synchrotron X-ray diffraction, is employed to rationalize the observed electrostrain. Phase-field simulations further elucidate the impact of charged dislocations on domain nucleation and domain switching. These findings present an effective and sustainable strategy for developing high-performance, lead-free piezoelectric materials without the need for additional chemical elements, offering immense potential for actuator technologies.

36 MATERIALS SCIENCE↗