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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Angle-resolved photoemission observation of Mn-pnictide hybridization and negligible band structure renormalization in BaMn 2 As 2 and BaMn 2 Sb 2

We performed an angle-resolved photoemission spectroscopy study of BaMn 2 As 2 and BaMn 2 Sb 2 , which are isostructural to the parent compound BaFe 2 As 2 of the 122 family of ferropnictide superconductors. We show the existence of a strongly k z -dependent band gap with a minimum at the Brillouin zone center, in agreement with their semiconducting properties. Despite the half filling of the electronic 3d shell, we show that the band structure in these materials is almost not renormalized from the Kohn-Sham bands of density functional theory. Finally, our photon-energy-dependent study provides evidence for Mn-pnictide hybridization, which may play a role in tuning the electronic correlations in these compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Effects of spin excitons on the surface states of SmB 6 : A photoemission study

We present the results of a high-resolution valence-band photoemission spectroscopic study of SmB 6 which shows evidence for a V-shaped density of states of surface origin within the bulk gap. The spectroscopy data are interpreted in terms of the existence of heavy 4 f surface states, which may be useful in resolving the controversy concerning the disparate surface Fermi-surface velocities observed in experiments. Most importantly, we find that the temperature dependence of the valence-band spectrum indicates that a small feature appears at a binding energy of about - 9 meV at low temperatures. We also attribute this feature to a resonance caused by the spin-exciton scattering in SmB 6 which destroys the protection of surface states due to time-reversal invariance and spin-momentum locking. Thus, the existence of a low-energy spin exciton may be responsible for the scattering, which suppresses the formation of coherent surface quasiparticles and the appearance of the saturation of the resistivity to temperatures much lower than the coherence temperature associated with the opening of the bulk gap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Covalent versus localized nature of 4 f electrons in ceria: Resonant angle-resolved photoemission spectroscopy and density functional theory

We have conducted resonant angle-resolved photoemission spectroscopy of well-defined CeO 2 (111) and c-Ce 2 O 3 (111) model surfaces, revealing distinct f contributions in the valence band of the two compounds. In conjunction with density functional theory calculations, we show that the f contribution in CeO 2 is of a covalent nature, arising from hybridization with the O2p bands. In contrast, c-Ce 2 O 3 exhibits an almost nondispersive f state at 1.3 eV, which is indicative of almost negligible c-f hybridization.

Duchoň, Tomáš↗
DOE OSTI2017

Electronic structure of R Sb ( R = Y , Ce, Gd, Dy, Ho, Tm, Lu) studied by angle-resolved photoemission spectroscopy

Here, we use high-resolution angle-resolved photoemission spectroscopy (ARPES) and electronic structure calculations to study the electronic properties of rare-earth monoantimonides RSb (R = Y, Ce, Gd, Dy, Ho, Tm, Lu). The experimentally measured Fermi surface (FS) of RSb consists of at least two concentric hole pockets at the Γ point and two intersecting electron pockets at the X point. These data agree relatively well with the electronic structure calculations. Detailed photon energy dependence measurements using both synchrotron and laser ARPES systems indicate that there is at least one Fermi surface sheet with strong three-dimensionality centered at the Γ point. Due to the “lanthanide contraction”, the unit cell of different rare-earth monoantimonides shrinks when changing the rare-earth ion from CeSb to LuSb. This results in the differences in the chemical potentials in these compounds, which are demonstrated by both ARPES measurements and electronic structure calculations. Interestingly, in CeSb, the intersecting electron pockets at the X point seem to be touching the valence bands, forming a fourfold-degenerate Dirac-like feature. On the other hand, the remaining rare-earth monoantimonides show significant gaps between the upper and lower bands at the X point. Furthermore, similar to the previously reported results of LaBi, a Dirac-like structure was observed at the Γ point in YSb, CeSb, and GdSb, compounds showing relatively high magnetoresistance. This Dirac-like structure may contribute to the unusually large magnetoresistance in these compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Continuous doping of a cuprate surface: Insights from in situ angle-resolved photoemission [Continuous doping of a cuprate surface: Insights from in situ ARPES]

Here, we report a technique of a continuously doped surface of Bi 2 Sr 2 CaCu 2 O 8+x through ozone/vacuum annealing and a systematic measurement over the nearly whole superconducting dome on the same sample surface by in situ angle-resolved photoemission spectroscopy. We find that the quasiparticle weight on the antinode is proportional to the doped carrier concentration x within the entire superconducting dome, while the nodal quasiparticle weight changes more mildly. More significantly, we discover that a d-wave pairing energy gap extracted from the nodal region scales well with the onset temperature of the Nernst signal. These findings suggest that the emergence of superconducting pairing is concomitant with the onset of free vortices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Detailed band structure of twinned and detwinned BaFe 2 As 2 studied with angle-resolved photoemission spectroscopy

We study the band structure of twinned and detwinned BaFe 2 As 2 using angle-resolved photoemission spectroscopy. The combination of measurements in the ordered and normal states along four high-symmetry momentum directions Γ/Z-X/Y enables us to identify the complex reconstructed band structure in the ordered state in great detail. We clearly observe the nematic splitting of the d xz and d yz orbitals as well as folding due to magnetic order with a wave vector of (π,π,π) . We are able to assign all observed bands. In particular we suggest an assignment of the electron bands different from previous reports. The high-quality spectra allow us to achieve a comprehensive understanding of the band structure of BaFe 2 As 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Electronic structure and 4$f$-electron character in Ce 2 PdIn 8 studied by angle-resolved photoemission spectroscopy

The localized-to-itinerant transition of $f$ electrons lies at the heart of heavy-fermion physics, but has only been directly observed in single-layer Ce-based materials. Here, we report a comprehensive study on the electronic structure and nature of the Ce 4$f$ electrons in the heavy-fermion superconductor Ce 2 PdIn 8 , a typical n = 2 Ce n MmIn 3n+2m compound, using high-resolution and 4$d$–4$f$ resonant photoemission spectroscopies. The electronic structure of this material has been studied over a wide temperature range, and hybridization between f and conduction electrons can be clearly observed to form a Kondo resonance near the Fermi level at low temperatures. Here, the characteristic temperature of the localized-to-itinerant transition is around 120 K, which is much higher than its coherence temperature T coh ~ 30K.

36 MATERIALS SCIENCE↗
DOE OSTI2019

X-ray photoemission spectroscopy in the Falicov-Kimball model

We calculate the finite temperature x-ray photoemission spectroscopy for the Falicov-Kimball model using a Wiener-Hopf sum equation approach. In the metallic state, the core-hole spectral function shows two side peaks corresponding to the creation of a core hole on an empty site (or a doubly occupied site) and also has two nearly degenerate central peaks (because of our choice of the model parameters) corresponding to the creation of a core hole on a singly occupied site. The nearly doubly degenerate central peaks merge into a single peak at higher temperatures. In the insulating state, we obtain two peaks and a strongly temperature dependent low-energy peak corresponding to the creation of a core hole on a thermally excited empty site. Furthermore, these results for the insulating state should be similar to those of the more general Hubbard model. Also, the strong correlations suggest that even without any additional broadening due to Auger-like processes, the core-hole lifetime will be short.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Accessing Phonon Polaritons in Hyperbolic Crystals by Angle-Resolved Photoemission Spectroscopy

Recently studied hyperbolic materials host unique phonon-polariton (PP) modes. The ultrashort wavelengths of these modes, as well as their low damping, hold promise for extreme subdiffraction nanophotonics schemes. Polar hyperbolic materials such as hexagonal boron nitride can be used to realize long-range coupling between PP modes and extraneous charge degrees of freedom. The latter, in turn, can be used to control and probe PP modes. In this work we analyze coupling between PP modes and plasmons in an adjacent graphene sheet, which opens the door to accessing PP modes by angle-resolved photoemission spectroscopy (ARPES). A rich structure in the graphene ARPES spectrum due to PP modes is anticipated, providing a new probe of PP modes and their coupling to graphene plasmons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Fermi Surface of Metallic V 2 O 3 from Angle-Resolved Photoemission: Mid-level Filling of e g π Bands

Using angle resolved photoemission spectroscopy, we report the first band dispersions and distinct features of the bulk Fermi surface (FS) in the paramagnetic metallic phase of the prototypical metal-insulator transition material V$_{2}O_{3}$. Along the c axis we observe both an electron pocket and a triangular holelike FS topology, showing that both V 3d $a_{1g}$ and e$_{g}^{π}$ states contribute to the FS. Here, these results challenge the existing correlation-enhanced crystal field splitting theoretical explanation for the transition mechanism and pave the way for the solution of this mystery.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Terahertz-Field-Induced Time Shifts in Atomic Photoemission

Time delays for atomic photoemission obtained in streaking or reconstruction of attosecond bursts by interference of two-photon transitions experiments originate from a combination of the quantum mechanical Wigner time and the Coulomb-laser coupling. While the former was investigated intensively theoretically as well as experimentally, the latter attracted less interest in experiments and has mostly been subject to calculations. Here, we present a measurement of the Coulomb-laser coupling-induced time shifts in photoionization of neon at 59.4 eV using a terahertz (THz) streaking field (λ = 152 μm). Employing a reaction microscope at the THz beamline of the free-electron laser in Hamburg (FLASH), we have measured relative time shifts of up to 70 fs between the emission of 2 p photoelectrons (~38 eV) and low-energetic (< 1 eV) photoelectrons. Finally, a comparison with theoretical predictions on Coulomb-laser coupling reveals reasonably good agreement.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Unmasking the Origin of Kinks in the Photoemission Spectra of Cuprate Superconductors

The origin of a ubiquitous bosonic coupling feature in the photoemission spectra of high- T c cuprates, an energy-momentum dispersion “kink” observed at ~70 meV binding energy, remains a two-decade-old mystery. Understanding this phenomenon requires an accurate description of the coupling between the electron and some collective modes. In this work, we report ab initio calculations based on G W perturbation theory and show that correlation-enhanced electron-phonon interaction in cuprates gives rise to the strong kinks, which not only explains quantitatively the observations but provides new understanding of experiments. Our results reveal it is the electron density of states being the predominant factor in determining the doping dependence of the kink size, manifesting the multiband nature of the cuprates, as opposed to the prevalent belief of it being a measure of the mode-coupling strength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Electron-hole symmetry in quasiparticle spectral weight of cuprates observed via infrared and photoemission spectroscopy

Here we performed an optical spectroscopy study of single crystals of Pr 0.85 LaCe 0.15 CuO 4–δ (PLCCO) to revisit the electron-hole asymmetry, which has been understood as a fundamental property of cuprates. Four differently annealed samples—as-grown, reduced, optimally oxygenated, and overoxygenated samples—were prepared, which have superconducting transition temperatures T c = 0, 15, 24, and 18 K, respectively. We observed that the low-energy quasiparticle spectral weights of all the PLCCO samples are significantly small in comparison with those of other electron-doped cuprate families. Instead, they are rather close to those of their hole-doped counterpart La 2–x Sr x CuO 4 . Accordingly, estimated effective carrier numbers N eff per Cu atom of superconducting samples are also very small, despite their relatively high critical temperatures. A complementary photoemission study reveals that the low-energy quasiparticle spectral weight of PLCCO is much smaller than that of Nd 1.85 Ce 0.15 CuO 4–δ , consistent with the optical results. Our observations demonstrate that PLCCO provides the electron-hole symmetry in the quasiparticle spectral weight and highlight the importance of Cu 3d–O 2p hybridization to understand the low-energy spectral weight transfer in doped cuprates.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fermiology of a topological line-nodal compound CaSb 2 and its implication to superconductivity: Angle-resolved photoemission study

Here, we performed angle-resolved photoemission spectroscopy with microfocused beam on a topological line-nodal compound CaSb 2 which undergoes a superconducting transition at the onset T c ~ 1.8 K, to clarify the Fermi-surface topology relevant to the occurrence of superconductivity. We found that a three-dimensional hole pocket at the Γ point is commonly seen for two types of single-crystalline samples fabricated by different growth conditions. On the other hand, the carrier-doping level estimated from the position of the chemical potential was found to be sensitive to the sample fabrication condition. The cylindrical electron pocket at the Y(C) point predicted by the calculations is absent in one of the two samples, despite the fact that both samples commonly show superconductivity with similar T c 's. This suggests a key role of the three-dimensional hole pocket to the occurrence of superconductivity, and further points to an intriguing possibility to control the topological nature of superconductivity by carrier tuning in CaSb 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2026

Hybridized kagome bands and induced Ti magnetism in RTi3Bi4 (R = Nd, Sm, Gd) kagome metals studied using angle-resolved photoemission spectroscopy and x-ray magnetic circular dichroism

Kagome materials are known for hosting emergent quantum phenomena driven by the interaction between different lattice, charge and spin orders. Here, we present a detailed angle resolved photoemission (ARPES), density functional theory (DFT) and x-ray magnetic circular dichroism (XMCD) study of the electronic and magnetic structure of RTi3Bi4 (R = Nd, Sm, Gd). ARPES and DFT demonstrate that the bulk electronic band structure is dominated by the hybridization of the Ti bands, and the weak electron-like pocket at Γ is identified as a surface state. The isotropic XAS profile of the M 4,5-edge of the rare earth is consistent with the presence of R 3+ oxidation state. Using the XMCD sum rules, backed by the atomic multiplet theory calculations, we obtain the spin and orbital magnetic moments. The Ti L2,3-edge XMCD reveals the presence of a small magnetic moment in GdTi3Bi4, presumably driven by the proximity of the Ti kagome layers to the zigzag chains of Gd, while the total magnetic moment of Gd is shared by the f and d electrons. Our combined XMCD, ARPES and DFT study brings an important piece of information to understand the spin flip transitions and anomalous Hall effect observed in the RTi3Bi4 kagome metals.

Lim, C.↗
DOE OSTI2021

Angle-resolved photoemission studies of quantum materials

The physics of quantum materials is dictated by many-body interactions and mathematical concepts such as symmetry and topology that have transformed our understanding of matter. Angle-resolved photoemission spectroscopy (ARPES), which directly probes the electronic structure in momentum space, has played a central role in the discovery, characterization, and understanding of quantum materials ranging from strongly correlated states of matter to those exhibiting nontrivial topology. Over the past two decades, ARPES as a technique has matured dramatically with ever-improving resolution and continued expansion into the space, time, and spin domains. Simultaneously, the capability to synthesize new materials and apply nonthermal tuning parameters in situ has unlocked new dimensions in the study of all quantum materials. These developments are reviewed, and the scientific contributions they have enabled in contemporary quantum materials research are surveyed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Investigation of the Anisotropy of Y-Ba-Cu-O Thin Films With Photoemission Electron Microscopy

Understanding the anisotropy in the electrical properties of YBa2Cu3O7-δ (YBCO) is important for understanding the fundamental mechanism of superconductivity in unconventional superconductors. Additionally it is also essential for achieving uniform and controllable critical currents and resistances in YBCO Josephson junctions. Here, this study correlates work function measurements of different intrinsic regions on YBCO thin films, obtained through PhotoEmission Electron Microscopy (PEEM), with in plane tunneling data and helium ion imaging. YBCO thin films, 40 nm in thickness, were selectively irradiated with 300 keV helium using a Pelletron to investigate the effects of irradiation compared to unirradiated regions. Post-irradiation PEEM images revealed distinct contrasts between irradiated and non-irradiated regions, suggesting a metal-to-insulator transition. In non-irradiated areas, a domain pattern was detected, showing a 25 meV difference in work function, attributed to CuO and BaO rich surface regions. A similar domain structure was observed using high-resolution helium ion imaging; however, the helium ion beam can damage the YBCO, making PEEM a valuable non-destructive alternative. This work highlights the correlation between PEEM measurements and in-plane tunneling properties of YBCO, providing insights into material orientation and its impact on Josephson junction performance. Furthermore, it offers a non-destructive approach to understanding the anisotropy of cuprate materials, its superconducting properties, and the factors affecting Josephson junction performance.

Qu, Rochelle Y. [Univ. of California, Riverside, C↗
DOE OSTI2020

Gold photoemission survey spectra from hard x rays

Polished single crystal gold was analyzed using hard x-ray photoemission at six different x-ray energies, nominally 8.0, 11, 13, 15, 18, and 22 keV. Survey spectra were recorded with each excitation to a maximum kinetic energy of 15 keV.

Flanagan, Timothy M.↗