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Results for “ENERGY GAP”

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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Noise and Bandwidth Measurements of Diffusion-Cooled Nb Hot-Electron Bolometer Mixers at Frequencies Above the Superconductive Energy Gap

Diffusion-cooled Nb hot-electron bolometer (HEB) mixers have the potential to simultaneously achieve high intermediate frequency (IF) bandwidths and low mixer noise temperatures for operation at THz frequencies (above the superconductive gap energy). We have measured the IF signal bandwidth at 630 GHz of Nb devices with lengths L = 0.3, 0.2, and 0.1 micrometer in a quasioptical mixer configuration employing twin-slot antennas. The 3-dB EF bandwidth increased from 1.2 GHz for the 0.3 gm long device to 9.2 GHz for the 0.1 gm long device. These results demonstrate the expected 1/L squared dependence of the IF bandwidth at submillimeter wave frequencies for the first time, as well as the largest EF bandwidth obtained to date. For the 0.1 gm device, which had the largest bandwidth, the double sideband (DSB) noise temperature of the receiver was 320-470 K at 630 GHz with an absorbed LO power of 35 nW, estimated using the isothermal method. A version of this mixer with the antenna length scaled for operation at 2.5 THz has also been tested. A DSB receiver noise temperature of 1800 plus or minus 100 K was achieved, which is about 1,000 K lower than our previously reported results. These results demonstrate that large EF bandwidth and low-noise operation of a diffusion-cooled HEB mixer is possible at THz frequencies with the same device geometry.

Wyss, R. A.↗
DOE OSTI2017

A fluorescence-electrochemical study of carbon nanodots (CNDs) in bio- and photoelectronic applications and energy gap investigation

Carbon nanodots (CNDs) have attracted significant attention due to their superior solubility, biocompatibility, tunable photoluminescence, and opto-electronic properties. Our work describes a new fluorescence-based spectroelectrochemistry approach to simultaneously study the photoluminescence and wavelength dependent photocurrent of microwave synthesized CNDs. The fluorescence of CNDs shows selective quenching upon a reversible redox couple, ferricyanide/ferrocyanide, reaction during cyclic voltammetry. The CND modified gold slide electrode demonstrates wavelength dependent photocurrent generation during the fluorescence-electrochemical study, suggesting the potential application of CNDs in photoelectronics. UV-Vis absorption and electrochemistry are used to quantify the energy gap of the CNDs, and then to calibrate a Hückel model for CNDs’ electronic energy levels. The Hückel (or tight binding) model treatment of an individual CND as a molecule combines the conjugated π states (C[double bond, length as m-dash]C) with the functional groups (C[double bond, length as m-dash]O, C–O, and COOH) associated with the surface electronic states. This experimental and theoretical investigation of CNDs provides a new perspective on the optoelectronic properties of CNDs and should aid in their development for practical use in biomedicine, chemical sensing, and photoelectric devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Nonadiabatic Derivative Couplings through Multiple Franck–Condon Modes Dictate the Energy Gap Law for Near and Short-Wave Infrared Dye Molecules

Near infrared (NIR, 700–1000 nm) and short-wave infrared (SWIR, 1000–2000 nm) dye molecules exhibit significant nonradiative decay rates from the first singlet excited state to the ground state. While these trends can be empirically explained by a simple energy gap law, detailed mechanisms of nearly universal behavior have remained unsettled for many cases. Theoretical and experimental results for two representative NIR/SWIR dye molecules reported here clarify the key mechanism for the observed energy gap law behavior. It is shown that the first derivative nonadiabatic coupling terms serve as major coupling pathways for nonadiabatic decay processes from the first excited singlet state to the ground state for these NIR and SWIR dye molecules and that vibrational modes other than the highest frequency modes also make significant contributions to the rate. Finally, this assessment is corroborated by further theoretical comparison with possible alternative mechanisms of intersystem crossing to triplet states and also by comparison with experimental data for deuterated molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Small energy gap revealed in CrBr 3 by scanning tunneling spectroscopy

CrBr 3 is a layered van der Waals material with magnetic ordering down to the 2D limit. For decades, based on optical measurements, it is believed that the energy gap of CrBr 3 is in the range of 1.68–2.1 eV. However, controversial results have indicated that the band gap of CrBr 3 is possibly smaller than that. An unambiguous determination of the energy gap is critical to the correct interpretations of the experimental results of CrBr 3 . Here, we present the scanning tunneling microscopy and spectroscopy (STM/S) results of CrBr 3 thin and thick flakes exfoliated onto highly ordered pyrolytic graphite (HOPG) surfaces and density functional theory (DFT) calculations to reveal the small energy gap (peak-to-peak energy gap to be 0.57 ± 0.04 eV; or the onset signal energy gap to be 0.29 ± 0.05 eV from dI/dV spectra). Atomic resolution topography images show the defect-free crystal structure and the dI/dV spectra exhibit multiple peak features measured at 77 K. The conduction band – valence band peak pairs in the multi-peak dI/dV spectrum agree very well with all reported optical transitions. STM topography images of mono- and bi-layer CrBr 3 flakes exhibit edge degradation due to short air exposure (~15 min) during sample transfer. The unambiguously determined small energy gap settles the controversy and is the key in better understanding CrBr 3 and similar materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Tidal stresses and energy gaps in microstate geometries

Here, we compute energy gaps and study infalling massive geodesic probes in the new families of scaling, microstate geometries that have been constructed recently and for which the holographic duals are known. We find that in the deepest geometries, which have the lowest energy gaps, the geodesic deviation shows that the stress reaches the Planck scale long before the probe reaches the cap of the geometry. Such probes must therefore undergo a stringy transition as they fall into microstate geometry. We discuss the scales associated with this transition and comment on the implications for scrambling in microstate geometries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operates unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Superconducting energy gap of 2 H - NbS e 2 in phonon spectroscopy

We present a high-energy-resolution inelastic x-ray scattering data investigation of the charge-density-wave (CDW) soft phonon mode upon entering the superconducting state in 2 H –NbSe 2 . Measurements were done close to the CDW ordering wave vector qCDW at q=q CDW + (0,0,l), 0.15 ≤ l ≤ 0.5, for T = 10K (CDW order) and 3.8K (CDW order+superconductivity). We observe changes of the phonon line shape that are characteristic for systems with strong electron-phonon coupling in the presence of a superconducting energy gap 2Δ c and from which we can demonstrate an l dependence of the superconducting gap. Reversely, our data imply that the CDW energy gap is strongly localized along the c* direction. The confinement of the CDW gap to a very small momentum region explains the rather low competition and easy coexistence of CDW order and superconductivity in 2 H –NbSe 2 . Furthermore, the energy gained by opening Δ CDW seems to be too small to be the driving force of the phase transition at T CDW = 33K, which is better described as an electron-phonon coupling driven structural phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Edge effects on band gap energy in bilayer 2H-MoS{sub 2} under uniaxial strain

The potential of ultrathin MoS{sub 2} nanostructures for applications in electronic and optoelectronic devices requires a fundamental understanding in their electronic structure as a function of strain. Previous experimental and theoretical studies assume that an identical strain and/or stress state is always maintained in the top and bottom layers of a bilayer MoS{sub 2} film. In this study, a bilayer MoS{sub 2} supercell is constructed differently from the prototypical unit cell in order to investigate the layer-dependent electronic band gap energy in a bilayer MoS{sub 2} film under uniaxial mechanical deformations. The supercell contains an MoS{sub 2} bottom layer and a relatively narrower top layer (nanoribbon with free edges) as a simplified model to simulate the as-grown bilayer MoS{sub 2} flakes with free edges observed experimentally. Our results show that the two layers have different band gap energies under a tensile uniaxial strain, although they remain mutually interacting by van der Waals interactions. The deviation in their band gap energies grows from 0 to 0.42 eV as the uniaxial strain increases from 0% to 6% under both uniaxial strain and stress conditions. The deviation, however, disappears if a compressive uniaxial strain is applied. These results demonstrate that tensile uniaxial strains applied to bilayer MoS{sub 2} films can result in distinct band gap energies in the bilayer structures. Such variations need to be accounted for when analyzing strain effects on electronic properties of bilayer or multilayered 2D materials using experimental methods or in continuum models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Optical properties of amorphous and crystalline Sb-doped SnO{sub 2} thin films studied with spectroscopic ellipsometry: Optical gap energy and effective mass

We investigated the optical properties of amorphous and crystalline antimony (Sb)-doped tin dioxide (SnO{sub 2}) thin films grown using the co-sputtering deposition method at room temperature. We used undoped and Sb-doped (8 wt. %) SnO{sub 2} targets. Varying the relative power ratio of the two targets, we controlled the Sb-composition of the SnO{sub 2}:Sb thin films up to 2.3 at. % of Sb contents. Through annealing, the as-grown amorphous SnO{sub 2}:Sb thin films were transformed to crystalline thin films. Dielectric functions were obtained from the measured ellipsometry angles, Ψ and Δ, using the Drude and parametric optical constant models. We determined the absorption coefficients and optical gap energies of the SnO{sub 2}:Sb thin films from the dielectric functions. We found increasing optical gap energy with increasing Sb composition. Increases in the Drude tail amplitudes, a signature of free carrier concentrations, were found in annealed, crystalline thin films with increasing Sb composition. The increase in the optical gap energy with increasing Sb composition was mainly attributed to the Burstein-Moss effect. Using Hall effect measurements, we obtained Hall carrier concentrations (N{sub Hall}) and electron Hall mobilities (μ{sub Hall}). The carrier concentrations and mobilities increased from 2.6 × 10{sup 19 }cm{sup −3} and 1.0 cm{sup 2}/(V s) to 2.0 × 10{sup 20 }cm{sup −1} and 7.2 cm{sup 2}/(V s), respectively, with increasing Sb contents. This result suggests that the nominally undoped SnO{sub 2} films are unintentionally n-type doped. Assuming that the N{sub Hall} and optical carrier concentrations (N{sub opt}) were the same, we obtained the effective masses of the SnO{sub 2}:Sb thin films with increasing Sb compositions. The effective masses of the SnO{sub 2}:Sb thin films increased from 0.245 m{sub 0} to 0.4 m{sub 0} with increasing Sb doping contents, and the nonparabolicity of the conduction band was estimated. We discussed the relation between the optical (μ{sub opt}) and Hall (μ{sub Hall}) mobilities as a function of Sb contents and grain sizes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Energy gap of topological surface states in proximity to a magnetic insulator

Abstract Topological surface-states can acquire an energy gap when time-reversal symmetry is broken by interfacing with a magnetic insulator. This gap has yet to be measured. Such topological-magnetic insulator heterostructures can host a quantized anomalous Hall effect and can allow the control of the magnetic state of the insulator in a spintronic device. In this work, we observe the energy gap of topological surface-states in proximity to a magnetic insulator using magnetooptical Landau level spectroscopy. We measure Pb 1-x Sn x Se–EuSe heterostructures grown by molecular beam epitaxy exhibiting a record mobility and low Fermi energy. Through temperature dependent measurements and theoretical calculations, we show this gap is likely due to quantum confinement and conclude that the magnetic proximity effect is weak in this system. This weakness is disadvantageous for the realization of the quantum anomalous Hall effect, but favorable for spintronic devices which require the preservation of spin-momentum locking at the Fermi level.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Thickness-dependent dispersion parameters, energy gap and nonlinear refractive index of ZnSe thin films

Highlights: • Combined experimental and theoretical researches on ZnSe Thin Films. • The film thickness and refractive index were determined using envelope method. • The absorption coefficient and the energy gap were calculated. • Dispersion parameters were determined using Wemple-DiDomenico relation. • The third order susceptibility and nonlinear refractive index were calculated. - Abstract: Zinc selenide (ZnSe) thin films with different thicknesses were evaporated onto glass substrates using the thermal evaporation technique. X-ray diffraction analysis confirmed that both the film and powder have cubic zinc-blende structure. The fundamental optical parameters like absorption coefficient, extinction coefficient and band gap were evaluated in transparent region of transmittance and reflectance spectrum. The optical transition of the films was found to be allowed, where the energy gap increased from 2.576 to 2.702 eV with increasing film thickness. Also, the refractive index value increase with increasing film thickness. The refractive indices evaluated through envelope method were extrapolated by Cauchy dispersion relationship over the whole spectra range. Additionally, the dispersion of refractive index was determined in terms of Wemple-DiDomenico single oscillator model. Third order susceptibility and nonlinear refractive index were determined for different thickness of ZnSe thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multi-atom quasiparticle scattering interference for superconductor energy-gap symmetry determination

Complete theoretical understanding of the most complex superconductors requires a detailed knowledge of the symmetry of the superconducting energy-gap Δ$^α_k$, for all momenta k on the Fermi surface of every band α. While there are a variety of techniques for determining |Δ$^α_k$|, no general method existed to measure the signed values of Δ$^α_k$. Recently, however, a technique based on phase-resolved visualization of superconducting quasiparticle interference (QPI) patterns, centered on a single non-magnetic impurity atom, was introduced. In principle, energy-resolved and phase-resolved Fourier analysis of these images identifies wavevectors connecting all k-space regions where Δ$^α_k$ has the same or opposite sign. But use of a single isolated impurity atom, from whose precise location the spatial phase of the scattering interference pattern must be measured, is technically difficult. Here we introduce a generalization of this approach for use with multiple impurity atoms, and demonstrate its validity by comparing the Δ$^α_k$ it generates to the Δ$^α_k$ determined from single-atom scattering in FeSe where s ± energy-gap symmetry is established. Finally, to exemplify utility, we use the multi-atom technique on LiFeAs and find scattering interference between the hole-like and electron-like pockets as predicted for Δ$^α_k$ of opposite sign.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1987

Energy-gap spectroscopy of superconductors using a tunneling microscope

A unique scanning tunneling microscope (STM) system has been developed for spectroscopy of the superconducting energy gap. High-resolution control of tunnel current and voltage allows for measurement of superconducting properties at tunnel resistance levels 100-1000 greater than that achieved in prior work. The previously used STM methods for superconductor spectroscopy are compared to those developed for the work reported here. Superconducting energy-gap spectra are reported for three superconductors, Pb, PbBi, and NbN, over a range of tunnel resistance. The measured spectra are compared directly to theory.

Le Duc, H. G.↗
DOE OSTI2021

A simple generalization of the energy gap law for nonradiative processes

For more than 50 years, an elegant energy gap (EG) law developed by Englman and Jortner [Mol. Phys. 18, 145 (1970)] has served as a key theory to understand and model the nearly exponential dependence of nonradiative transition rates on the difference of energy between the initial and final states. This work revisits the theory, clarifies the key assumptions involved in the rate expression, and provides a generalization for the cases where the effects of temperature dependence and low-frequency modes cannot be ignored. For a specific example where the low-frequency vibrational and/or solvation responses can be modeled as an Ohmic spectral density, a simple generalization of the EG law is provided. Test calculations demonstrate that this generalized EG law brings significant improvement over the original EG law. Both the original and generalized EG laws are also compared with the stationary phase approximations developed for electron transfer theory, which suggests the possibility of a simple interpolation formula valid for any value of EG.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗