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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Unconventional short-range structural fluctuations in cuprate superconductors

Abstract The interplay between structural and electronic degrees of freedom in complex materials is the subject of extensive debate in physics and materials science. Particularly interesting questions pertain to the nature and extent of pre-transitional short-range order in diverse systems ranging from shape-memory alloys to unconventional superconductors, and how this microstructure affects macroscopic properties. Here we use neutron and X-ray diffuse scattering to uncover universal structural fluctuations in La 2-x Sr x CuO 4 and Tl 2 Ba 2 CuO 6+δ , two cuprate superconductors with distinct point disorder effects and with optimal superconducting transition temperatures that differ by more than a factor of two. The fluctuations are present in wide doping and temperature ranges, including compositions that maintain high average structural symmetry, and they exhibit unusual, yet simple scaling behaviour. The scaling regime is robust and universal, similar to the well-known critical fluctuations close to second-order phase transitions, but with a distinctly different physical origin. We relate this behaviour to pre-transitional phenomena in a broad class of systems with structural and magnetic transitions, and propose an explanation based on rare structural fluctuations caused by intrinsic nanoscale inhomogeneity. We also uncover parallels with superconducting fluctuations, which indicates that the underlying inhomogeneity plays an important role in cuprate physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Evolution of superconductivity in K 2–x Fe 4+y Se 5 : Spectroscopic studies of X-ray absorption and emission

We investigate the evolution of superconductivity in K 2–x Fe 4+y Se 5 using temperature-dependent X-ray absorption and resonant inelastic X-ray scattering techniques. Magnetization measurements show that polycrystalline superconducting (SC) K 1.9 Fe 4.2 Se 5 has a critical temperature ( T c ) of ~31 K with a varying superconducting volume fraction, which significantly depends on its synthesis temperature. An increase in Fe-structural/vacancy disorder in SC samples with more Fe atoms occupying vacant 4d sites is found to be closely related to the decrease in the spin magnetic moment of Fe. Moreover, the nearest-neighbor Fe–Se bond length in SC samples exceeds that in the non-SC (NS) sample, K 2 Fe 4 Se 5 , which indicates a weaker hybridization between the Fe 3 d and Se 4 p states in SC samples. These results clearly demonstrate the correlations among the local electronic and atomic structures and the magnetic properties of K 2–x Fe 4+y Se 5 superconductors, providing deeper insight into the electron pairing mechanisms of superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

First-principles electron-phonon interactions and polarons in the parent cuprate La 2 CuO 4

Understanding electronic interactions in high-temperature superconductors is an outstanding challenge. In the widely studied cuprate materials, experimental evidence points to strong electron-phonon ( e -ph) coupling and broad photoemission spectra. Yet, the microscopic origin of this behavior is not fully understood. Here, we study e -ph interactions and polarons in a prototypical parent (undoped) cuprate, La 2 CuO 4 (LCO), by means of first-principles calculations. Leveraging parameter-free Hubbard-corrected density functional theory, we obtain a ground state with the band gap and Cu magnetic moment in nearly exact agreement with experiments. This enables a quantitative characterization of e -ph interactions. Our calculations reveal two classes of longitudinal optical (LO) phonons with strong e -ph coupling to hole states. These modes consist of bond stretching and bond bending in the Cu-O plane as well as vibrations of apical O atoms. The hole spectral functions, obtained with a cumulant method that can capture strong e -ph coupling, exhibit broad quasiparticle peaks with a small spectral weight ( Z ≈ 0.25 ) and pronounced LO-phonon sidebands characteristic of polaron effects. Our calculations predict features observed in photoemission spectra, including a 40-meV peak in the e -ph coupling distribution function not explained by existing models. These results show that the universal strong e -ph coupling found experimentally in doped lanthanum cuprates is also present in the parent compound, and elucidate its microscopic origin. Published by the American Physical Society 2025

Chang, Benjamin K. (ORCID:0000000313049324)↗
DOE OSTI2019

Majorana lattices from the quantized Hall limit of a proximitized spin-orbit coupled electron gas

Motivated by recent experiments demonstrating intricate quantum Hall physics on the surface of elemental bismuth, we consider proximity coupling an 𝑠-wave superconductor to a two-dimensional electron gas with strong Rashba spin-orbit interactions in the presence of a strong perpendicular magnetic field. We focus on the high-field limit so that the superconductivity can be treated as a perturbation to the low-lying Landau levels. In the clean case, wherein the superconducting order parameter takes the form of an Abrikosov vortex lattice, we show that a lattice of hybridized Majorana modes emerges near the plateau transition of the lowest Landau level. However, unless magnetic-symmetry-violating perturbations are present, the system always has an even number of chiral Majorana edge modes and thus is strictly speaking Abelian in nature, in agreement with previous work on related setups. Interestingly, however, a weak topological superconducting phase can very naturally be stabilized near the plateau transition for the square vortex lattice. Furthermore, the relevance of our findings to potential near-term experiments on proximitized materials such as bismuth will be discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Electron-phonon superconductivity in LaO{sub 0.5}F{sub 0.5}BiSe{sub 2}

We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum and electron–phonon coupling for the newly discovered superconductor LaO{sub 0.5}F{sub 0.5}BiSe{sub 2}. It is confirmed that there is a strong Fermi surface nesting at (π,π,0), which results in unstable phonon branches. Combining the frozen phonon total energy calculations and an anharmonic oscillator model, we find that the quantum fluctuation prevents the appearance of static long–range order. The calculation shows that LaO{sub 0.5}F{sub 0.5}BiSe{sub 2} is highly anisotropic, and same as its cousin LaO{sub 0.5}F{sub 0.5}BiS{sub 2}, this compound is also a conventional electron-phonon coupling induced superconductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Pseudogap in electron-doped cuprates: Strong correlation leading to band splitting

The pseudogap phenomena have been a long-standing mystery of the cuprate high-temperature superconductors. The pseudogap in the electron-doped cuprates has been attributed to band folding due to antiferromagnetic (AFM) long-range order or short-range correlation. We performed an angle-resolved photoemission spectroscopy study of the electron-doped cuprates Pr 1.3−x La 0.7 Ce x CuO 4 showing spin-glass, disordered AFM behaviors, and superconductivity at low temperatures and, by measurements with fine momentum cuts, found that the gap opens on the unfolded Fermi surface rather than the AFM Brillouin zone boundary. The gap did not show a node, following the full symmetry of the Brillouin zone, and its magnitude decreased from the zone-diagonal to (π,0) directions, opposite to the hole-doped case. These observations were reproduced by cluster dynamical-mean-field-theory calculation, which took into account electron correlation precisely within a (CuO 2 ) 4 cluster. In conclusion, the present experimental and theoretical results are consistent with the mechanism that electron or hole doping into a Mott insulator creates an in-gap band that is separated from the upper or lower Hubbard band by the pseudogap.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Probing High Temperature Superconductors with Magnetometry in Ultrahigh Magnetic Fields

The objective of this research is to investigate the high-field magnetic properties of high temperature superconductors, materials that conduct electricity without loss. A technique known as high-resolution torque magnetometry that was developed to directly measure the magnetization of high temperature superconductors. This technique was implemented using the 65 Tesla pulsed magnetic field facility that is part of the National High Magnetic Field Laboratory at Los Alamos National Laboratory. This research addressed unanswered questions about the interplay between magnetism and superconductivity, determine the electronic structure of high temperature superconductors, and shed light on the mechanism of high temperature superconductivity and on potential applications of these materials in areas such as energy generation and power transmission. Further applications of the technology resolve the novel physical phenomena such as correlated topological insulators, and spin liquid state in quantum magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Electric transport across Sr{sub 1-x}La{sub x}CuO{sub 2}/Au/Nb planar tunnel junctions and x-ray photoelectron and Auger-electron spectroscopy on Sr{sub 1-x}La{sub x}CuO{sub 2} thin films

Thin-film planar tunnel junctions with the electron-doped infinite-layer superconductor Sr{sub 1-x}La{sub x}CuO{sub 2} (SLCO) with x{approx}0.15 as bottom electrode, a thin Au interlayer, and Nb as top electrode were fabricated and characterized. Measurements of electric transport across these junctions provide information on the interface and surface properties of the SLCO thin films. No Cooper pair tunneling is observed; however, nonlinear current-voltage characteristics give evidence for quasiparticle (QP) tunneling across a thin insulating SLCO barrier at the SLCO/Au interface, with a single gap value {approx}1.4 meV, originating from superconducting Nb. The absence of a superconducting SLCO gap in the QP conductance curves indicates a thin normal-conducting SLCO layer below the insulating SLCO barrier. To examine its origin, x-ray photoelectron spectroscopy (XPS) and x-ray Auger-electron spectroscopy (XAES) on SLCO thin films were performed. We observe a Cu valence of +1 in the SLCO surface layer (within {approx}3 nm thickness) and of +2 in deeper regions, as expected for fully oxidized CuO{sub 2} planes in the bulk. Hence, the XPS and XAES results for the SLCO films are consistent with the QP tunneling spectra observed for our planar SLCO/Au/Nb junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effects of TiO{sub 2} addition and electron irradiation on superconducting and mechanical properties of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} (Bi-2212) superconductor

Titanium Oxide (TiO{sub 2}) compounds having very high melting point with lower heat capacity, is an excellent candidate for reinforcement of brittle materials such as superconductor ceramics. In addition to high melting point, the TiO{sub 2} is also capable of establishing flux pinning centers in bismuth-based superconductors such as the Bi-2212. To further enhance the flux pinning properties, irradiation is one of the techniques that can be used to re-create the required point defects. In this study, the effects of TiO{sub 2} addition and electron irradiation on Bi-2212 superconductor were studied. TiO{sub 2} added Bi-2212 superconductor samples with 5%, 10% and 15% weight percentage addition respectively, were prepared using the conventional solid-state reaction method. The samples were irradiated with electron beam with radiation dose of 100 KGray. Characterization was performed by X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM). The transition temperature (T{sub c}) and the critical current density (J{sub c}) of the samples were also measured. The XRD patterns for all the samples show well-defined peaks all of which could be indexed on the basis of a Bi-2212 phase structure. In addition, the XRD patterns indicate that electron irradiation did not change the structure of Bi-2212 superconducting phase. Results of SEM micrographs show disorientation in the texture of the microstructure for samples that are subjected to electron irradiation. The grains are seen to align randomly with higher degree of orientation. With regard to TiO{sub 2} additions, only small TiO{sub 2} addition sustained the superconducting properties upon irradiation. Addition of more than 5% weight percentage of TiO{sub 2} degrades the superconducting properties of the irradiated samples. Formation of weak-links may result in higher grain boundaries orientation within the superconducting grains and thus deteriorates the inter-grains connectivity and resulted in lower T{sub c} and degradation of J{sub c}. The strength of the superconductor reduced significantly when subjected to electron irradiation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electron-hole asymmetry in the phase diagram of carrier-tuned CsV3Sb5

In this work, we study the effect of electron doping on the kagome superconductor CsV 3 Sb 5 . Single crystals and powders of CsV 3 Sb 5− x Te x are synthesized and characterized via magnetic susceptibility, nuclear quadrupole resonance, and x-ray diffraction measurements, where we observe a slight suppression of the charge density wave transition temperature and superconducting temperature with the introduction of electron dopants. In contrast to hole doping, both transitions survive relatively unperturbed up to the solubility limit of Te within the lattice. A comparison is presented between the electronic phase diagrams of electron- and hole-tuned CsV 3 Sb 5 .

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tuning the electronic properties of MgB 2 by substitution with Mn and C

We use high-resolution angle-resolved photoemission spectroscopy (ARPES) to investigate the electronic band structure of the superconductors Mg 0.995 Mn 0.005 B 2 and Mg(B 0.98 C 0.02 ) 2 , in comparison with pristine MgB 2 . Our experimental findings reveal modest changes in the size of the Fermi surface sheets following manganese or carbon substitution, with the most pronounced effect observed in the outermost σ band. Additionally, the dispersion kink, indicative of strong renormalization due to the interaction between conduction electrons and phonon modes near −0.065 eV, remains unaffected by chemical substitution. Given that the superconducting transition temperature decreases significantly more rapidly in Mn-substituted MgB 2 than in C-substituted MgB 2 , our ARPES results strongly suggest that the primary mechanism behind the pronounced T C suppression in Mn–MgB 2 is the disruption of Cooper pairs via Abrikosov–Gorkov spin-flip scattering caused by the local magnetic moments of Mn.

ARPES↗
DOE OSTI2018

A First-Principle Calculation and de Haas-van Alphen Effect Simulation in Superconductor LaNiC{sub 2}

In this article the electronic structure and de Haas-van Alphen effect of LaNiC{sub 2} have been calculated by using the first-principle calculations. The antisymmetric spin-orbit coupling effect causes splitting estimated to be 62.9 and 27.5 meV in the two bands crossing the Fermi level. Regular translations between spin-up and spin-down states have been observed and calculated in discrete ranges of energy. Spin-orbit coupled Fermi surfaces are derived and the related de Hass-van Alphen effects have been simulated from the ELK-flapw calculations. The unusual disconnections in low-frequency area have been discussed in details. The Fermi surface topology of spin-up (l + 1/2) is very different from that of spin-down (l − 1/2) which is also evident by the proportions of electron-like bands. Finally the relationship between simulation results and Fermi surface details has been discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Strong polaronic effect in a superatomic two-dimensional semiconductor

Crystalline solids assembled from superatomic building blocks are attractive functional materials due to their hierarchical structure, multifunctionality, and tunability. An interesting example is Re 6 Se 8 Cl 2 , in which the Re 6 Se 8 building blocks are covalently linked into two-dimensional (2D) sheets that are stacked into a layered van der Waals solid. It is an indirect gap semiconductor that, when heavily doped, becomes a superconductor at low temperatures. Given the finite electronic bandwidths (300–400 meV), carrier properties in this material are expected to be strongly influenced by coupling to phonons. Here, we apply angle-resolved photoemission spectroscopy to probe the valence band edge (VBE) of Re 6 Se 8 Cl 2 . We find that dispersion of the VBE is a strong function of temperature. The bandwidth is W = 120 ± 30 meV at 70 K and decreases by one order of magnitude to W ~ 10 ± 20 meV as temperature is increased to 300 K. This observation reveals the dominant polaronic effects in Re 6 Se 8 Cl 2 , consistent with the Holstein polaron model commonly used to describe molecular solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Low-energy phonons in Bi 2 Sr 2 CaCu 2 O 8 + δ and their possible interaction with electrons measured by inelastic neutron scattering

Electron-phonon interaction in copper oxide superconductors is still enigmatic. Strong coupling for certain optic phonons is now well established experimentally, but theoretical understanding is challenging. Scattering of electrons near the Fermi surface by the longitudinal acoustic (LA) phonons is expected from basic theory because these phonons modulate electron density. We used inelastic neutron scattering on a large single crystal sample of optimally-doped Bi 2 Sr 2 CaCu 2 O 8+δ to show that low-energy LA phonons could couple to electronic density fluctuations only at small phonon wavevectors, which naturally limits any interaction to forward scattering. Such scattering should not be pairbreaking in the case of the d-wave gap. We also found that previously reported low energy phonon spectral weight half-way to the zone boundary is consistent with conventional lattice dynamics and does not reflect incipient charge density wave (CDW).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗