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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Spontaneous decay rates of the hyperfine structure atomic states into an optical nanofiber

Spontaneous decay rates of atoms into guided modes of an optical nanofiber are found for atomic transitions between the hyperfine structure sublevels. The decay rates are evaluated for the hyperfine structure transitions in Rb atoms. The efficiency of the guided mode excitation by spontaneous decay of the specific hyperfine atomic states is examined for both the fundamental fiber mode HE{sub 11} and the higher-order modes TE{sub 01}, TM{sub 01}, and HE{sub 21}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Structural and thermoelectric properties of zintl-phase CaLiPn (Pn=As, Sb, Bi)

First-principles calculations were carried out to study the structural, mechanical, dynamical and transport properties of zintl phase materials CaLiPn (Pn=As, Sb and Bi). We have used two different approaches to solve the system based on density functional theory. The plane wave pseudopotential approach has been used to study the structural and dynamical properties whereas, full potential linear augment plane wave method is used to examine the electronic structure, mechanical and thermoelectric properties. The calculated ground-state properties agree quite well with experimental values. The computed electronic structure shows the investigated compounds to be direct band gap semiconductors. Further, we have calculated the thermoelectric properties of all the investigated compounds for both the carriers at various temperatures. We found a high thermopower for both the carriers, especially n-type doping to be more favourable, which enabled us to predict that CaLiPn might have promising applications as a good thermoelectric material. Further, the phonon dispersion curves of the investigated compounds showed flat phonon modes and we also find lower optical and acoustic modes to cut each other at the lower frequency range, which further indicate the investigated compounds to possess reasonably low thermal conductivity. We have also analysed the low value of the thermal conductivity through the empirical relations and discussions are presented here. - Highlights: • Electronic band structure and chemical bonding. • Single crystalline elastic constants and poly crystalline elastic moduli. • Thermoelectric properties of zintl phase. • Lattice dynamics and phonon density of states.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Wind-Driven and Seasonal Effects on Marine Aerosol Production in the Bellingshausen Sea, Antarctica

We assessed satellite-retrieved marine aerosol in the western Antarctic Peninsula (WAP) across a 12-year period from coarse-mode aerosol optical depth (AOD C ), often used as a proxy for sea spray aerosol (SSA), and marine aerosol optical depth (MAOD), a newly developed proxy for tropospheric marine aerosol. Across open ocean to coastal regions, daily fluctuations in nighttime and daytime winds, respectively, drove increasing MAOD and AOD C . MAOD depicted strong correlations with wind speed across open ocean and weak correlations in coastal regions. In the open ocean, AOD C exhibited a very weak significant correlation to wind speed and a weak significant correlation to sea surface temperature (SST). We thus observed that warmer SST enhanced the production of SSA, supporting prior studies. This is the first study to assess patterns of AOD C in the WAP. In contrast to the tropical Pacific, seasonal patterns showed that biological activity likely contributed toward MAOD and AOD C magnitudes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Heteroepitaxial chemistry of zinc chalcogenides on InP nanocrystals for defect-free interfaces with atomic uniformity

Heteroepitaxy on colloidal semiconductor nanocrystals is an essential strategy for manipulating their optoelectronic functionalities. However, their practical synthesis typically leads to scattered and unexpected outcomes due to the intervention of multiple reaction pathways associated with complicated side products of reactants. Here, the heteroepitaxy mechanism of zinc chalcogenide initiated on indium phosphide (InP) colloidal nanocrystals is elucidated using the precursors, zinc carboxylate and trialkylphosphine selenide. The high magnetic receptivity of 77 Se and the characteristic longitudinal optical phonon mode of ZnSe allowed for monitoring the sequence of epilayer formation at the molecular level. The investigation revealed the sterically hindered acyloxytrialkylphosphonium and diacyloxytrialkylphosphorane to be main intermediates in the surface reaction, which retards the metal ion adsorption by a large steric hindrance. The transformation of adsorbates to the crystalline epilayer was disturbed by surface oxides. Raman scattering disclosed the pathway of secondary surface oxidation triggered by carboxylate ligands migrated from zinc carboxylate. The surface-initiated heteroepitaxy protocol is proposed to fabricate core/shell heterostructured nanocrystals with atomic-scale uniformity of epilayers. Despite the large lattice mismatch of ZnS to InP, we realised a uniform and interface defect-free ZnS epilayer (~0.3 nm thickness) on InP nanocrystals, as evidenced by a high photoluminescence quantum yield of 97.3%.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Robust and tunable Weyl phases by coherent infrared phonons in ZrTe5

Abstract Ultrafast control of structural and electronic properties of various quantum materials has recently sparked great interest. In particular, photoinduced switching between distinct topological phases has been considered a promising route to realize quantum computers. Here we use first-principles and effective Hamiltonian methods to show that in ZrTe 5 , lattice distortions corresponding to all three types of zone-center infrared optical phonon modes can drive the system from a topological insulator to a Weyl semimetal. Thus achieved Weyl phases are robust, highly tunable, and one of the cleanest due to the proximity of the Weyl points to the Fermi level and a lack of other carriers. We also find that Berry curvature dipole moment, induced by the dynamical inversion symmetry breaking, gives rise to various nonlinear effects that oscillate with the amplitude of the phonon modes. These nonlinear effects present an ultrafast switch for controlling the Weyltronics-enabled quantum system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Tunable interaction between excitons and hybridized magnons in a layered semiconductor

The interaction between distinct excitations in solids is of both fundamental interest and technological importance. One example of such interactions is coupling between an exciton, a Coulomb bound electron-hole pair, and a magnon, a collective spin excitation. The recent emergence of van der Waals magnetic semiconductors1 provides a powerful platform for exploring these exciton-magnon interactions and their fundamental properties, such as strong correlation2, as well as their photo-spintronic and quantum transduction3 applications. Here we demonstrate precise control of coherent exciton-magnon interactions in the layered magnetic semiconductor CrSBr. We show that by controlling the direction of applied magnetic fields relative to the crystal axes, and thus the rotational symmetry of the magnetic system4, we can tune not only the exciton coupling to the bright magnon, but also to an optically dark mode via magnon hybridization. The exciton-magnon coupling and associated magnon dispersion curves can be further modulated by applying a uniaxial strain. At the critical strain, a dispersionless dark magnon band emerges. Our results demonstrate unprecedented control of the opto-mechanical-magnonic coupling, and a step towards the predictable and controllable implementation of hybrid quantum magnonics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Unconventional room-temperature carriers in the triangular-lattice Mott insulator TbInO3

Abstract The strong correlations between electrons in Mott insulator materials may produce highly entangled many-body states with unconventional emergent excitations. The signatures of such excitations, if any, are commonly believed to be observable only at low temperatures. Here, we challenge this common belief and show using terahertz time-domain spectroscopy that exotic carriers exist even at room temperature in TbInO 3 , a candidate material for realizing a low-temperature quantum spin-liquid phase. In particular, over the entire temperature range of 1.5–300 K, we observe a quadratic frequency dependence in the real part of the in-plane optical conductivity as well as Fano asymmetry of an optical phonon mode strongly interacting with the excitation continuum. These features are robust even under external magnetic fields of up to 7 T. Our data confirm the presence of emergent charge carriers within the Mott charge gap of TbInO 3 , suggesting that it is possible to probe and manipulate highly entangled quantum many-body states at room temperature.

Physics↗
DOE OSTI2024

Strong electron–phonon coupling in magic-angle twisted bilayer graphene

The unusual properties of superconductivity in magic-angle twisted bilayer graphene (MATBG) have sparked considerable research interest. However, despite the dedication of intensive experimental efforts and the proposal of several possible pairing mechanisms, the origin of its superconductivity remains elusive. Here, by utilizing angle-resolved photoemission spectroscopy with micrometre spatial resolution, we reveal flat-band replicas in superconducting MATBG, where MATBG is unaligned with its hexagonal boron nitride substrate. These replicas show uniform energy spacing, approximately 150 ± 15 meV apart, indicative of strong electron–boson coupling. Strikingly, these replicas are absent in non-superconducting twisted bilayer graphene (TBG) systems, either when MATBG is aligned to hexagonal boron nitride or when TBG deviates from the magic angle. Calculations suggest that the formation of these flat-band replicas in superconducting MATBG are attributed to the strong coupling between flat-band electrons and an optical phonon mode at the graphene K point, facilitated by intervalley scattering. These findings, although they do not necessarily put electron–phonon coupling as the main driving force for the superconductivity in MATBG, unravel the electronic structure inherent in superconducting MATBG, thereby providing crucial information for understanding the unusual electronic landscape from which its superconductivity is derived.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Ultrafast enhancement of electron-phonon coupling via dynamic quantum well states

Abstract The density of states at the Fermi surface controls many material properties by influencing the low-energy interactions of conductive electrons. Typically, external tuning knobs generate only small perturbations to the density of states in crystals, since their band structure depends strongly on the lattice potential. In contrast, quantum well states are contingent on a localized potential extrinsic to the crystal lattice and can be easily modified leading to changes in the density of states at the Fermi level. Here, we are able to control the quantum well potential on the surface of Bi 2 Se 3 with light, driving a density of states singularity below E F at ultrafast timescales, thereby triggering a reversible Lifshitz transition. We reveal a substantial ultrafast enhancement of the electron-phonon coupling with repercussions on the relaxation dynamics in the system. We argue that the relaxation dynamics are governed largely by the interplay of the dynamic density of states of the quantum wells with c -axis scattering from the $${A}_{{{{{{{{\rm{1g}}}}}}}}}^{2}$$ A 1g 2 optical phonon mode. These results demonstrate a powerful way to enhance electron-boson interaction on ultrafast timescales providing new avenues for controlling material properties and driving novel quantum phases of matter.

Ciocys, Samuel T.↗
DOE OSTI2011

E{sub 1} Gap of Wurtzite InAs Single Nanowires Measured by Means of Resonant Raman Spectroscopy

Indium arsenide nanowires were synthesized with an intermixing of wurtzite and zincblende structure by chemical beam epitaxy with the vapor-liquid-solid mechanism. Resonant Raman spectroscopy of the transverse optical phonon mode at 215 cm{sup -1} reveals an E{sub 1} gap of 2.47 eV which is assigned to the electronic band gap at the A point in the indium arsenide wurtzite phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Deposition of stress free c-axis oriented LiNbO{sub 3} thin film grown on (002) ZnO coated Si substrate

C-axis oriented lithium niobate thin films have been deposited on Si substrate using RF sputtering technique. A thin buffer layer of c-axis (002) oriented ZnO on Si substrate has been used as a nucleating layer to promote the growth of (006) oriented LiNbO{sub 3} film. The processing gas composition and pressure are found to be very critical in obtaining stress free LiNbO{sub 3} film having desired (006) orientation. The LiNbO{sub 3} films deposited under unique combination of sputtering pressure (10 mTorr) and argon percentage (80%) in reactive gas (Ar + O{sub 2}) composition become almost stress free having lattice parameter (1.3867 A) close to the bulk value. The observed variation in the structural properties and optical phonon modes observed by Raman spectroscopic studies of the oriented LiNbO{sub 3} thin film with stress has been correlated with growth kinetics.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Structural and optical studies of GaN pn-junction with AlN buffer layer grown on Si (111) by RF plasma enhanced MBE

GaN pn-junction grown on silicon substrates have been the focus in a number of recent reports and further effort is still necessary to improve its crystalline quality for practical applications. GaN has the high n-type background carrier concentration resulting from native defects commonly thought to be nitrogen vacancies. In this work, we present the growth of pn-junction of GaN on Si (111) substrate using RF plasma-enhanced molecular beam epitaxy (MBE). Both of the layers show uniformity with an average thickness of 0.709 {mu}m and 0.095 {mu}m for GaN and AlN layers, respectively. The XRD spectra indicate that no sign of cubic phase of GaN are found, so it is confirmed that the sample possessed hexagonal structure. It was found that all the allowed Raman optical phonon modes of GaN, i.e. the E2 (low), E1 (high) and A1 (LO) are clearly visible.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Crystallographically tilted and partially strain relaxed GaN grown on inclined (111) facets etched on Si(100) substrate

High resolution X-ray diffractometry (HR-XRD), Photoluminescence, Raman spectroscopy, and Transmission electron microscope measurements are reported for GaN deposited on a conventional Si(111) substrate and on the (111) facets etched on a Si(100) substrate. HR-XRD reciprocal space mappings showed that the GaN(0002) plane is tilted by about 0.63° ± 0.02° away from the exposed Si(111) growth surface for GaN deposited on the patterned Si(100) substrate, while no observable tilt existed between the GaN(0002) and Si(111) planes for GaN deposited on the conventional Si(111) substrate. The ratio of integrated intensities of the yellow to near band edge (NBE) luminescence (I{sub YL}/I{sub NBE}) was determined to be about one order of magnitude lower in the case of GaN deposited on the patterned Si(100) substrate compared with GaN deposited on the conventional Si(111) substrate. The Raman E{sub 2}(high) optical phonon mode at 565.224 ± 0.001 cm{sup −1} with a narrow full width at half maximum of 1.526 ± 0.002 cm{sup −1} was measured, for GaN deposited on the patterned Si(100) indicating high material quality. GaN deposition within the trench etched on the Si(100) substrate occurred via diffusion and mass-transport limited mechanism. This resulted in a differential GaN layer thickness from the top (i.e., 1.8 μm) of the trench to the bottom (i.e., 0.3 μm) of the trench. Mixed-type dislocation constituted about 80% of the total dislocations in the GaN grown on the inclined Si(111) surface etched on Si(100)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Quantum modelling of hydrogen chemisorption on graphene and graphite

The chemisorption of hydrogen on graphene or graphite is studied within a quantum formalism involving a subsystem coupled to a phonon bath. The subsystem includes the hydrogen atom approaching the surface perpendicularly right on top of a carbon atom which puckers out of the surface. The bath includes the acoustic and optical phonon modes vibrating perpendicularly to the surface. Couplings between subsystem and bath are obtained with a periodic density functional theory calculation. Trapping probabilities are obtained as a function of the hydrogen atom kinetic energy. These results are discussed in the light of the experimental hydrogenation studies performed on graphite by Zecho et al. [J. Chem. Phys. 117, 8486 (2002)] and on graphene by Haberer et al. [Adv. Mater. 23, 4497 (2011)].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Enhancement of thermoelectric performance in InAs nanotubes by tuning quantum confinement effect

By using the nonequilibrium Green's function method, we study the thermoelectric properties of InAs nanotubes. The results show that InAs nanotube with a certain internal diameter has much higher ZT value than nanowire due to the enhancement of quantum confinement effect leading to the increase of the power factor S{sup 2}G. The ZT value of InAs nanotube can reach 1.74, which is about three times greater than that of nanowires. Moreover, it is found that the ZT values of InAs nanotubes decrease rapidly with the increase of internal diameter, which results from the rapid increase of phonons thermal conductance due to the “red shift” of low-frequency optical phonon modes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Electron-phonon interaction effect on the energy levels and diamagnetic susceptibility of quantum wires: Parallelogram and triangle cross section

In this paper, optical phonon modes are studied within the framework of dielectric continuum approach for parallelogram and triangular quantum wires, including the derivation of the electron-phonon interaction Hamiltonian and a discussion on the effects of this interaction on the electronic energy levels. The polaronic energy shift is calculated for both ground-state and excited-state electron energy levels by applying the perturbative approach. The effects of the electron-phonon interaction on the expectation value of r{sup 2} and diamagnetic susceptibility for both quantum wires are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Polarization switching characteristics of 0.5BaTi{sub 0.8}Zr{sub 0.2}O{sub 3}-0.5Ba{sub 0.7}Ca{sub 0.3}TiO{sub 3} lead free ferroelectric thin films by pulsed laser deposition

We report on the ferroelectricity for morphotropic-phase-boundary lead (Pb) free 0.5BaTi{sub 0.8}Zr{sub 0.2}O{sub 3}-0.5Ba{sub 0.7}Ca{sub 0.3}TiO{sub 3} (0.5BZT-0.5BCT) thin films. Thin films were grown on Pt/Ti/SiO{sub 2}/Si substrate using pulsed laser deposition. Raman spectroscopic data combined with the X-ray diffraction analyses confirm body centered tetragonal crystallographic structure 0.5BZT-0.5 BCT thin films on Pt/Ti/SiO{sub 2}/Si. Polarization studies demonstrate that these 0.5BZT-0.5BCT films exhibit a large remnant and saturation polarization of 37 μC/cm{sup 2} and 40 μC/cm{sup 2}, respectively, with a coercive field of 140 kV/cm. A correlation between polarization dynamics, structural distortion, and phonon vibration is established. The splitting of X-ray diffraction peak of the thin film in the 2θ range of 44.5° to 46.5° represents high degree of tetragonality. The tetragonality factor calculated by Rietveld analysis was found to be 0.006 and can be a major cause for the increased remnant polarization value. It is established from Raman spectra that the non-centrosymmetricity due to the displacement of Ti/Zr ions from its octahedral position is related to the peak position as well as the broadening of the A{sub 1} (LO) optical phonon mode. This increase of broadness in the thin film causes an increase in the dipole moment of the unit cell and, hence, the net increase in polarization values.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗