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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Synthesis and electronic characterization of Nd2−xSrxNiO4 thin films (0≤x≤1.4)

Layered nickelates have been studied extensively over the last three decades due to their structural similarities to the high-Tc superconducting cuprates. Using reactive oxide molecular beam epitaxy (MBE), we synthesize Nd2−xSrxNiO4 thin films for x=0−1.4 to probe the properties and electronic structure as a function of hole doping. The samples with lower doping show semiconducting behavior across the temperatures probed with an onset of metallic conductivity at x=1.4. We also present polarization-dependent O K and Ni L2,3 x-ray absorption spectra to track the evolution of the oxygen-nickel hybridization, distribution of holes between O 2p and Ni 3d states and the nickel oxidation state across the series. Angle-resolved photoemission spectroscopy (ARPES) measurements reveal a Fermi surface that comprises a cupratelike hole pocket of dx2−y2 character with an additional electron pocket of d3z2−r2 character at Γ. The emergence of a quasiparticle peak at the Fermi vector for x=1.4 corroborates the insulator-to-metal transition at x∼1. Finally, observe a fully two-dimensional Fermi surface with no momentum-dependent pseudogap, in contrast to measurements of the related bulk compound, Eu0.9Sr1.1NiO4.

Taylor, Nicole K↗
DOE OSTI2026

Lattice-Charge Coupling in a Trilayer Nickelate with Intertwined Density Wave Order

Intertwined charge and spin correlations are ubiquitous in a wide range of transition metal oxides and are often perceived as intimately related to unconventional superconductivity. Theoretically envisioned as driven by strong electronic correlations, the intertwined order is usually found to be strongly coupled to the lattice as signaled by pronounced phonon softening. Recently, both charge and spin density waves (CDW and SDW) and superconductivity have been discovered in several Ruddlesden-Popper (RP) nickelates, in particular trilayer nickelates 𝑅⁢𝐸 4⁢ Ni 3 ⁢O 10 (𝑅⁢𝐸 = Pr, La). The nature of the intertwined order and the role of lattice-charge coupling are at the heart of the debate about these materials. Using inelastic x-ray scattering, we mapped the low-energy phonon dispersions in 𝑅⁢𝐸 4⁢ Ni 3 ⁢O 10 and found no evidence of softening near the CDW wave vector over a wide temperature range, which contrasts with the pronounced anomalies frequently observed in cuprate superconductors. Calculations of the electronic susceptibility revealed a peak at the observed SDW ordering vector but not at the CDW wave vector. Our experimental and theoretical findings highlight the crucial role of the spin degree of freedom and establish a foundation for understanding the interplay between superconductivity and density-wave transitions in RP nickelate superconductors and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Engineering 2D Square Lattice Hubbard Models in 90° Twisted GeX/SnX (X =S, Se) Moiré Superlattices

Because of the large-period superlattices emerging in moiré two-dimensional (2D) materials, electronic states in such systems exhibit low energy flat bands that can be used to simulate strongly correlated physics in a highly tunable setup. While many investigations have thus far focused on moiré flat bands and emergent correlated electron physics in triangular, honeycomb, and quasi-one-dimensional lattices, tunable moiré realizations of square lattices subject to strong correlations remain elusive. Here, in this work, we propose a feasible scheme to construct moiré square lattice systems by twisting two or more layers of 2D materials in a rectangular lattice by 90°. We demonstrate the concept with twisted GeX/SnX (X =S, Se) moiré superlattices and calculate their electronic structures from first principles. We show that the lowest conduction flat band in these systems can be described by a square lattice Hubbard model with parameters which can be controlled by varying the choice of host materials, number of layers, and external electric fields. In particular, twisted double bilayer GeSe realizes a square lattice Hubbard model with strong frustration due to the next-nearest-neighbor hopping that could host unconventional superconductivity, in close analogy to the Hubbard model for copper-oxygen planes of cuprate high-temperature superconductors. The presented scheme uses 90° twisted 2D materials with rectangular unit cells as a promising platform for realizing the physical phenomena of square lattice Hubbard models, establishing a new route for studying its rich phase diagram of magnetism, charge order, and unconventional superconductivity in a highly tunable setting.

2-dimensional systems↗
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 OSTI2026

Superconducting phase diagram of multilayer square-planar nickelates

The discovery of superconductivity in square-planar nickelates has offered a rich materials platform to explore the origins of high-temperature superconductivity. However, experimental investigations have largely been limited to the infinite-layer R NiO 2 ( R , rare earth) nickelates. For this work we constructed a phase diagram of multilayer square-planar Nd n+1 Ni n O 2n+2 compounds and found signatures of superconductivity for dimensionality n = 4 to 8. Upon decreasing n , the superconducting anisotropy evolves owing to 4ƒ electron effects, and electronic structure characteristics approach cuprate-like behavior. Magnetic fluctuations persist from within the superconducting regime and into the overdoped, nonsuperconducting regime. The superconducting regime overlaps with that of chemically doped infinite-layer nickelates, demonstrating underlying commonalities as well as differences across varying structural realizations of square-planar nickelates. Our work establishes this layered template for creating new nickel-based superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Diagrammatic Monte Carlo Approach to Real‐frequency Response Functions and the Spin‐Fermion Model of Hot Spots (Final Report)

This three‐year research project was focused on two outstanding condensed matter problems (i) Real‐frequency response functions in Coulomb systems at finite temperature, and Fermi surface (FS) reconstruction in the Spin-Fermion (SF) model. The uniform electron gas (jellium) model, describing electrons interacting via long‐range Coulomb forces on positive neutralizing background, is fundamentally important both for understanding the physics of correlated electrons and for formulation of the time‐dependent density functional theory (TDDFT). The spin-fermion model has found a wide range of applications in the physics of cuprates and iron‐based superconductors to explain the “strange metal" behavior and to suggest a possible pairing mechanism for high‐temperature superconductivity. The project’s goals were development and application of the Diagrammatic Monte Carlo (DiagMC) techniques for solving the above problems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Multiple Slater Determinants and Strong Spin-Fluctuations as Key Ingredients of the Electronic Structure of Electron- and Hole-Doped Pb 10− x Cu x (PO 4 ) 6 O

LK-99, with chemical formula Pb 10−x Cu x (PO 4 ) 6 O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of ensuing work, a variety of calculations (mostly based on density-functional theory) have demonstrated that the system possesses some unusual characteristics in the electronic structure, in particular flat bands. We have established previously that within DFT, the system is insulating with many characteristics resembling the classic cuprates, provided the structure is not constrained to the P3(143) symmetry nominally assigned to it. Here we describe the basic electronic structure of LK-99 within self-consistent many-body perturbative approach, quasiparticle self-consistent GW (QSGW) approximation and their diagrammatic extensions. QSGW predicts that pristine LK-99 is indeed a Mott/charge transfer insulator, with a bandgap gap in excess of 3 eV, whether or not constrained to the P3(143) symmetry. When Pb 9 Cu(PO 4 ) 6 O is hole-doped, the valence bands modify only slightly, and a hole pocket appears. However, two solutions emerge: a high-moment solution with the Cu local moment aligned parallel to neighbors, and a low-moment solution with Cu aligned antiparallel to its environment. In the electron-doped case the conduction band structure changes significantly: states of mostly Pb character merge with the formerly dispersionless Cu d state, and high-spin and low spin solutions once again appear. Thus we conclude that with suitable doping, the ground state of the system is not adequately described by a band picture, and that strong correlations are likely. Irrespective of whether this system class hosts superconductivity or not, the transition of Pb 10 (PO 4 ) 6 O from being a band insulator to Pb 9 Cu(PO 4 ) 6 O, a Mott insulator, and multi-determinantal nature of doped Mott physics make this an extremely interesting case-study for strongly correlated many-body physics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Electronic structure of compressively strained thin film La$_2$PrNi$_2$O$_7$

The discovery of superconductivity in the bulk nickelates under high pressure is a major advance in physics. The recent observation of superconductivity at ambient pressure in compressively strained bilayer nickelate thin films has now enabled direct characterization of the superconducting phase through angle resolved photoemission spectroscopy (ARPES). Here we present an in-situ ARPES study of compressively strained La$_2$PrNi$_2$O$_7$ films grown by oxide molecular beam epitaxy, and the ozone treated counterparts with an onset T$_c$ of 40 K, supplemented with results from pulsed laser deposition films with similar T$_c$. We resolve a systematic strain-driven electronic band shift with respect to that of bulk crystals, in qualitative agreement with density functional theory (DFT) calculations. However, the strongly renormalized flat 3$d_{z2}$ band shifts a factor of 5-10 smaller than anticipated by DFT. Furthermore, it stays ~70 meV below the Fermi level, contradicting the expectation that superconductivity results from the high density of states of this band at the Fermi level. We also observed a non-trivial k$_z$ dispersion of the cuprate-like 3$d_{x2-y2}$ band. Combined with results from both X-ray diffraction and DFT, we suggest that the strained films are under ~5 GPa effective pressure, considerably larger than the naïve expectation from the DFT relaxed structure. Finally, the ~70 meV energy position is intriguingly close to the collective mode coupling more prominently seen in thin films, in the energy range of both oxygen related phonons and the maximum of the spin excitation spectrum.

FOS: Physical sciences↗
NASA NTRS1989

A comparative study of sintered and melt-grown recrystallized YBa2Cu3Ox

This paper compares the properties of yttrium barium cuprate bulk specimens prepared by means of solid-state sintering on one hand and of growth from a largely molten state on the other. The current paper focuses on magnetization measurements at 77 K which show specimens made by the latter method to have high remanence magnetization values.

Hojaji, Hamid↗
NASA NTRS1990

Oxide superconductors under magnetic field

One of the current most serious problems for the oxide superconductors from the standpoint of practical application is the various novel features derived mainly from their extremely short coherence. In particular, the coherence length so far observed in the cuprate superconductors is in the range of 0.1 nm perpendicular to the CuO2 plane. This seems to be creating most of the difficulties in the device fabrication and in the performance under the magnetic field. Some of the superconducting properties under the magnetic field will be discussed in terms of the short coherence length. A model will be presented based on the gradual strengthening of the pinning force with decrease in temperature and the weak coupling at the grain boundaries. Secondly, the broadening of the superconducting transition under the magnetic field is discussed. This is observed significantly only when the field is applied perpendicular to the basal plane and the relative orientation of the current to the field is insignificant in determining the extent of the broadening. Besides, the change in the strength of the pinning force does not affect the width of the broadening. From these observations discussions will be made on a model based on the giant fluctuation. Based on this model, it is predicted that the coherence length along the c-axis will be the single most important material parameter to determine the performance of the superconductor under a strong magnetic field. It seems that BYCO is superior in this regard to Bi- or Tl-systems as far as the performance at 77 K is considered, although another material with the coherence length slightly longer along the c-axis is still highly desired.

Kitazawa, K.↗
NASA NTRS1991

Subpicosecond time-resolved studies of coherent phonon oscillations in thin-film YBa2Cu3O(6+x) (x less than 0.4)

The results are reported of the first time-resolved observation of impulsively generated coherent optical phonon oscillations in the semiconducting cuprate compound YBa2Cu3O(6+x ) (x less than 0.4). The oscillations, which were probed through time-resolved transmissivity modulation, had a period of 237 fsec at room temperature, corresponding to a Raman active mode at A(1g) symmetry at 142/cm. No oscillations were observed in the superconducting form of Y-Ba-Cu-O either above or below Tc. The amplitude, frequency, and linewidth of this mode were measured over a temperature range from about 7 K to room temperature.

Chwalek, J. M.↗
NASA NTRS1991

Dependence of transition temperature on hole concentration per CuO2 sheet in the Bi-based superconductors

The recently observed variations of the transition temperature (T sub c) with oxygen content in the Bi based (2212) and (2223) superconductors are analyzed in terms of p+, the hole concentration per CuO2 sheet. This analysis shows that in this system, T sub c increases with p+ initially, reaching maxima at p+ = 0.2 approx. 0.3, followed by monotonic decrease of T sub c with p+. The forms of these variations are similar to those observed in the La(2-x)Sr(x)CuO4 and YBa2Cu3Oy systems, suggesting that p+ may be an important variable governing superconductivity in the cuprate superconductors.

Zhao, J.↗
NASA NTRS1991

Oxide superconductors under magnetic field

One of the current most serious problems for the oxide superconductors from the standpoint of practical application is the various novel features derived mainly from their extremely short coherence. In particular, the coherence length so far observed in the cuprate superconductors is in the range of 0.1 nm perpendicular to the CuO2 plane. This seems to be creating most of the difficulties in the device fabrication and in the performance under the magnetic field. Some of the superconducting properties under the magnetic field will be discussed in terms of the short coherence length. A model will be presented based on the gradual strengthening of the pinning force with decrease in temperature and the weak coupling at the grain boundaries. Secondly, the broadening of the superconducting transition under the magnetic field is discussed. This is observed significantly only when the field is applied perpendicular to the basal plane and the relative orientation of the current to the field is insignificant in determining the extent of broadening. Besides, the change in the strength of the pinning force does not affect the width of the broadening. From these observations discussions will be made on a model based on the giant fluctuation. Based on this model, it is predicted that the coherence length along the c-axis will be the single most important material parameter to determine the performance of the superconductor under a strong magnetic field. It seems that BYCO is superior in this regard to Bi- or Tl-systems as far as the performance at 77 K is considered, although another material with the coherence length slightly longer along the c-axis is still highly desired.

Kitazawa, K.↗
NASA NTRS1991

Correlation of normal and superconducting properties and unified approach to the description of high Tc oxides

We present a unified approach based on the Fermi liquid picture which allows us to describe the normal as well as the superconducting properties of the doped cuprates. The theory that is presented is for the doped compounds which are metallic. One can distinguish two interrelated, but nevertheless, different directions in the physics of high T(sub c): one involving the problem of carrier doping and the transition to the metallic state, and the second being the description of the metallic state. It is important that this metallic phase undergoes the transition into the superconducting state; as a result, our analysis is directly related to the origin of high T(sub c). We are using a quasi-2D Fermi liquid model to estimate the fundamental parameters of these very interesting materials. We find that this description is able to describe these materials and also that phonons and plasmons play a major role in the mechanism of high T(sub c).

Kresin, V. Z.↗
NASA NTRS1992

Giant suppression of flux-flow resistivity in heavy-ion irradiated Tl2Ba2Ca2Cu3O10 films - Influence of linear defects on vortex transport

A large shift of the onset of flux-flow resistivity and the irreversibility line H(irr)(T) to higher temperatures is observed in Tl2Ba2Ca2Cu3O10 films containing linear defects created by Ag(+21) ion irradiation. The H(irr)(T), which has a characteristic L shape in highly anisotropic Tl and Bi based cuprates, becomes more like that of YBa2Cu3O7 in the presence of these defects. The Jc at 77 K also shows a large increase as a result of flux localization at the defects. The transport data indicate that in the H-T plane above H(irr)(T) of the unirradiated material, an ensemble of unoccupied defects is required for effective pinning of each flux line in the system.

Budhani, R. C.↗
NASA NTRS1995

Oxide perovskite crystals for HTSC film substrates microwave applications

The research focused upon generating new substrate materials for the deposition of superconducting yttrium barium cuprate (YBCO) has yielded several new hosts in complex perovskites, modified perovskites, and other structure families. New substrate candidates such as Sr(Al(1/2)Ta(1/2))O3 and Sr(Al(1/2)Nb(1/2))O3, Ba(Mg(1/3)Ta(2/3))O3 in complex oxide perovskite structure family and their solid solutions with ternary perovskite LaAlO3 and NdGaO3 are reported. Conventional ceramic processing techniques were used to fabricate dense ceramic samples. A laser heated molten zone growth system was utilized for the test-growth of these candidate materials in single crystal fiber form to determine crystallographic structure, melting point, thermal, and dielectric properties as well as to make positive identification of twin free systems. Some of those candidate materials present an excellent combination of properties suitable for microwave HTSC substrate applications.

Bhalla, A. S.↗
NASA NTRS1995

Pb solubility of the high-temperature superconducting phase Bi2Sr2Ca2Cu3O(10+d)

For the nominal composition of Bi(2.27-x)Pb(x)Sr2 Ca2 Cu3 O(10+d) lead content was varied from x = 0.05 to 0.45. The compositions were examined between 830 and 890 C which is supposed to be the temperature range over which the so-called 2223 phase (Bi2Sr2Ca2Cu3O(10+d)) is stable. Only compositions between x = 0.18 to 0.36 could be synthesized in a single phase state. For x is greater than 0.36 a lead containing phase with a stoichiometry of Pb4(Sr,Ca)5CuO(d) is formed, for x is less than 0.18 mainly Bi2Sr2CaCu2O(10+d) and cuprates are the equilibrium phases. The temperature range for the 2223 phase was found to be 830 to 890 C but the 2223 phase has extremely varying cation ratios over this temperature range. Former single phase 2223 samples turn to multi phase samples when annealed at slightly higher or lower temperatures. A decrease in the Pb solubility with increasing temperature was found for the 2223 phase.

Kaesche, Stefanie↗