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At least 1,027 records · Page 57

Persistent flat band splitting and strong selective band renormalization in a kagome magnet thin film

Magnetic kagome materials provide a fascinating playground for exploring the interplay of magnetism, correlation and topology. Many magnetic kagome systems have been reported including the binary Fe m X n (X = Sn, Ge; m:n = 3:1, 3:2, 1:1) family and the rare earth RMn 6 Sn 6 (R = rare earth) family, where their kagome flat bands are calculated to be near the Fermi level in the para magnetic phase. While partially filling a kagome flat band is predicted to give rise to a Stoner-type ferromagnetism, experimental visualization of the mag netic splitting across the ordering temperature has not been reported for any of these systems due to the high ordering temperatures, hence leaving the nature of magnetism in kagome magnets an open question. Here, we probe the electronic structure with angle-resolved photoemission spectroscopy in a kagome magnet thin film FeSn synthesized using molecular beam epitaxy. We identify the exchange-split kagome flat bands, whose splitting persists above the magnetic ordering temperature, indicative of a local moment picture. Such local moments in the presence of the topological flat band are consistent with the compact molecular orbitals predicted in theory. We further observe a large spin-orbital selective band renormalization in the Fe d xy + d x 2 -y 2 spin majority channel reminiscent of the orbital selective correlation effects in the iron based superconductors. Our discovery of the coexistence of local moments with topological flat bands in a kagome system echoes similar findings in magic-angle twisted bilayer graphene, and provides a basis for theoretical effort towards modeling correlation effects in magnetic flat band systems.

36 MATERIALS SCIENCE↗

Absence of bulk charge density wave order in the normal state of UTe 2

A spatially modulated superconducting state, known as pair density wave (PDW), is a tantalizing state of matter with unique properties. Recent scanning tunneling microscopy (STM) studies revealed that spin-triplet superconductor UTe 2 hosts an unprecedented spin-triplet, multi-component PDW whose three wavevectors are indistinguishable from a preceding charge-density wave (CDW) order that survives to temperatures well above the superconducting critical temperature, T c . Whether the PDW is the mother or a subordinate order remains unsettled. Here, based on a systematic search for bulk charge order above T c using resonant elastic X-ray scattering (REXS), we show that the structure factor of charge order previously identified by STM is absent in the bulk within the sensitivity of REXS. Our results invite two scenarios: either the density-wave orders condense simultaneously at T c in the bulk, in which case PDW order is likely the mother phase, or the charge modulations are restricted to the surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Tunable superconductivity coexisting with the anomalous Hall effect in a transition metal dichalcogenide

Transition metal dichalcogenides display a high technological potential due to their wide range of electronic ground states. Here, we unveil that by tuning hydrostatic pressure P, a cascade of electronic phase transitions can be induced in the few-layer transition metal dichalcogenide 1 T ’-WS 2 . As P increases, we observe the suppression of superconductivity with the concomitant emergence of an anomalous Hall effect (AHE) at P ≈ 1.15 GPa. Above 1.6 GPa, we uncover a reentrant superconducting state emerging from a state still exhibiting AHE. This superconducting state competes with the AHE state and shows a marked increase in superconducting anisotropy with respect to the ambient pressure phase, suggesting a distinct pairing symmetry. We demonstrate that 1 T ’-WS 2 concomitantly transitions into a strong topological phase with different band orbital characters and Fermi surfaces contributing to the superconductivity. These findings position 1T’-WS 2 as a tunable superconductor, wherein superconductivity, AHE, and band features can be tuned reversibly.

Superconducting properties and materials↗

Hierarchically ordered porous transition metal compounds from one-pot type 3D printing approaches

Solution-based soft matter self-assembly (SA) promises unique material structures and properties from approaches including additive manufacturing/three-dimensional (3D) printing. The 3D printing of periodically ordered porous functional inorganic materials through SA unfolding during printing remains a major challenge, however, due to the often vastly different ordering kinetics of separate processes at different length scales. Here, we report a “one-pot” direct ink writing process to produce hierarchically porous transition metal nitrides and precursor oxides from block copolymer (BCP) SA. Heat treatment protocols identified in various environments enable mesostructure retention in the final crystalline materials with periodic lattices on three distinct length scales. Moreover, embedded printing enables the first BCP directed mesoporous non-self-supporting helical oxides and nitrides. Resulting nitrides are superconducting, with record nanoconfinement-induced upper critical fields correlated with BCP molar mass and record surface areas for compound superconductors. Results suggest scalable porous functional inorganic material formation approaches for applications including catalysis, sensing, and microelectronics.

36 MATERIALS SCIENCE↗

X-ray-diffraction and electrical-transport imaging of superconducting superhydride (La,Y)H 10

Understanding how microscopic structural domains govern macroscopic electronic properties is central to advancing hydride superconductors, yet such correlations remain poorly resolved under pressure. We report the synthesis and characterization of (La 0.9 Y 0.1 )H 10 superhydrides exhibiting coexisting cubic $Fm\bar{3}m$ and $P6_3/mmc$ hexagonal clathrate phases observed over the pressure range from 168 GPa down to 136 GPa. Using synchrotron-based X-ray diffraction imaging at the upgraded Advanced Photon Source, we spatially resolved μm-scale distributions of these phases, revealing structural inhomogeneity across the sample. Four-probe resistance measurements confirmed superconductivity with two distinct transitions: an onset at 244 K associated with the cubic phase and a second near 220 K linked to the hexagonal phase. Notably, resistance profiles collected from multiple current and voltage permutations showed variations in transition width and onset temperature that correlated with the spatial phase distribution. These findings demonstrate a direct connection between local structural domains and superconducting behavior.

Materials science↗

Momentum space AC Josephson effect and intervalley coherence in multilayer graphene

Electron transport driven by the phase coherence and interference of quantum many-body wavefunctions is a fascinating phenomenon with potential technological significance. Superconductivity, for example, enables dissipationless transport through macroscopic phase twisting, while charge-density waves show broadband noise and AC-DC interference once their phase is depinned. We identify an analogous phase-coherent dynamics in the intervalley-coherent (IVC) state frequently observed in rhombohedral multilayer graphene. We show that a static magnetic field drives an oscillating intervalley current, which produces an oscillating orbital magnetization and thereby a detectable AC Hall response. This mechanism is similar to the Josephson effect observed in superconductors but now happening in momentum space. In this analogy, the static magnetic field acts as the DC voltage, while the oscillating intervalley current is the AC Josephson current. We provide microscopic calculations of all the phase-number free-energy parameters in rhombohedral trilayer graphene, establishing this effect as an experimental signature of IVC order.

electronic properties and materials↗

Unconventional polaronic ground state in superconducting LiTi 2 O 4

Geometrically frustrated lattices can display a range of correlated phenomena, ranging from spin frustration and charge order to dispersionless flat bands due to quantum interference. One particularly compelling family of such materials is the half-valence spinel LiB 2 O 4 materials. On the B-site frustrated pyrochlore sublattice, the interplay of correlated metallic behavior and charge frustration leads to a superconducting state in LiTi 2 O 4 and heavy fermion behavior in LiV 2 O 4 . To date, however, LiTi 2 O 4 has primarily been understood as a conventional BCS superconductor despite a lattice structure that could host more exotic ground states. Here, we present a multimodal investigation of LiTi 2 O 4 , combining ARPES, RIXS, proximate magnetic probes, and ab-initio many-body theoretical calculations. Our data reveals a novel mobile polaronic ground state with spectroscopic signatures that underlie co-dominant electron-phonon coupling and electron-electron correlations also found in the lightly doped cuprates. The cooperation between the two interaction scales distinguishes LiTi 2 O 4 from other superconducting titanates, suggesting an unconventional origin to superconductivity in LiTi 2 O 4 . Our work deepens our understanding of the rare interplay of electron-electron correlations and electron-phonon coupling in unconventional superconducting systems. In particular, our work identifies the geometrically frustrated, mixed-valence spinel family as an under-explored platform for discovering unconventional, correlated ground states.

36 MATERIALS SCIENCE↗

A hybrid Monte Carlo study of bond-stretching electron–phonon interactions and charge order in BaBiO3

Abstract The relationship between electron–phonon ( e -ph) interactions and charge-density-wave (CDW) order in the bismuthate family of high-temperature superconductors remains unresolved. We address this question using nonperturbative hybrid Monte Carlo calculations for the parent compound BaBiO 3 . Our model includes the Bi 6 s and O 2 p σ orbitals and coupling to the Bi-O bond-stretching branch of optical phonons via modulations of the Bi-O hopping integral. We simulate three-dimensional clusters of up to 4000 orbitals, with input model parameters taken from ab initio electronic structure calculations and a phonon energy ℏΩ 0 = 60 meV. Our results demonstrate that the coupling to the bond-stretching modes is sufficient to reproduce the CDW transition in this system, despite a relatively small dimensionless coupling. We also find that the transition deviates from the weak-coupling Peierls’ picture. This work demonstrates that off-diagonal e -ph interactions in orbital space are vital in establishing the bismuthate phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron–phonon physics from first principles using the EPW code

EPW is an open-source software for ab initio calculations of electron–phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally localized Wannier functions to efficiently compute electron–phonon coupling matrix elements, and to perform predictive calculations of temperature-dependent properties and phonon-assisted quantum processes in bulk solids and low-dimensional materials. Here, we report on significant developments in the code since 2016, namely: a transport module for the calculation of charge carrier mobility under electric and magnetic fields using the Boltzmann transport equation; a superconductivity module for calculations of phonon-mediated superconductors using the anisotropic multi-band Eliashberg theory; an optics module for calculations of phonon-assisted indirect transitions; a module for the calculation of small and large polarons without supercells; and a module for calculating band structure renormalization and temperature-dependent optical spectra using the special displacement method. For each capability, we outline the methodology and implementation and provide example calculations.

36 MATERIALS SCIENCE↗

TiSe 2 is a band insulator created by lattice fluctuations, not an excitonic insulator

TiSe 2 is a narrow-gap insulator with a rich array of unique properties. In addition to being a superconductor under certain modifications, it is commonly thought to be a rare realisation of an excitonic insulator. Below 200 K, TiSe 2 undergoes a transition from a high-symmetry ($P\bar{3}m1$) phase to a low-symmetry ($P\bar{3}c1$) charge density wave (CDW). Here we establish that it is indeed an insulator in both $P\bar{3}m1$ and $P\bar{3}c1$ phases. However, the insulating state is driven not by excitonic effects but by symmetry-breaking. In the CDW phase it is static. At high temperature, thermally driven instantaneous deviations from $P\bar{3}m1$ break the symmetry on the characteristic time scale of a phonon. Even though the time-averaged lattice structure assumes $P\bar{3}m1$ symmetry, the time-averaged energy band structure is closer to the CDW phase - a rare instance of a metal-insulator transition induced by dynamical symmetry breaking. We establish these conclusions from quasiparticle self-consistent GW (QSGW) and many-body calculations (QS$G\widehat{W}$), in combination with molecular dynamics simulations to capture the effects of thermal disorder. The many-body theory includes explicitly ladder diagrams in the polarizability, which incorporates excitonic effects in an ab initio manner. We find that the excitonic modification to the potential is weak, ruling out the possibility that TiSe 2 is an excitonic insulator.

36 MATERIALS SCIENCE↗

Solving the Bernstein-Vazirani problem using Majorana-based topological quantum algorithms

Executing quantum algorithms using Majorana zero modes—a major milestone for the field of topological quantum computing—requires a platform that can be scaled to large quantum registers, can be controlled in real time and space, and a braiding protocol that uses the unique properties of these exotic particles. Here, we demonstrate the first successful simulation of a Majorana-based, fault-tolerant quantum algorithm to solve the Bernstein-Vazirani problem in two-dimensional magnet-superconductor hybrid structures from initialization to read-out of the final many-body state. Utilizing the Majorana zero modes’ topological properties, we introduce an optimized braiding protocol for the algorithm and a scalable architecture for its implementation with an arbitrary number of qubits. We visualize the algorithm protocol in real time and space by computing the non-equilibrium density of states, which is proportional to the time-dependent differential conductance, and the non-equilibrium charge density, which assigns a unique signature to each final state of the algorithm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nematic fluctuations in iron-oxychalcogenide Mott insulators

Nematic fluctuations occur in a wide range physical systems from biological molecules to cuprates and iron pnictide high- T c superconductors. It is unclear whether nematicity in pnictides arises from electronic spin or orbital degrees of freedom. We studied the iron-based Mott insulators La 2 O 2 Fe 2 OM 2 M = (S, Se), which are structurally similar to pnictides. Nuclear magnetic resonance revealed a critical slowing down of nematic fluctuations and complementary Mössbauerr spectroscopy data showed a change of electrical field gradient. The neutron pair distribution function technique detected local C 2 fluctuations while neutron diffraction indicates that global C 4 symmetry is preserved. A geometrically frustrated Heisenberg model with biquadratic and single-ion anisotropic terms provides the interpretation of the low temperature magnetic fluctuations. The nematicity is not due to spontaneous orbital order, instead it is linked to geometrically frustrated magnetism based on orbital selectivity. This study highlights the interplay between orbital order and spin fluctuations in nematicity.

36 MATERIALS SCIENCE↗

Josephson detection of time-reversal symmetry broken superconductivity in SnTe nanowires

A Josephson junction (JJ) couples the supercurrent flowing between two weakly linked superconductors to the phase difference between them via a current-phase relation (CPR). While a sinusoidal CPR is expected for conventional junctions with insulating weak links, devices made from some exotic materials may give rise to unconventional CPRs and unusual Josephson effects. In this work, we present such a case: we investigate the proximity-induced superconductivity in SnTe nanowires by incorporating them as weak links in JJs and observe a deviation from the standard CPR. We report on indications of an unexpected breaking of time-reversal symmetry in these devices, detailing the unconventional characteristics that reveal this behavior. These include an asymmetric critical current in the DC Josephson effect, a prominent second harmonic in the AC Josephson effect, and a magnetic diffraction pattern with a minimum in critical current at zero magnetic field. The analysis examines how multiband effects and the experimentally visualized ferroelectric domain walls give rise to this behavior, giving insight into the Josephson effect in materials that possess ferroelectricity and/or multiband superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Expansion of the high field-boosted superconductivity in UTe2 under pressure

Abstract Magnetic field-induced superconductivity is a fascinating quantum phenomenon, whose origin is yet to be fully understood. The recently discovered spin-triplet superconductor, UTe 2 , exhibits two such superconducting phases, with the second one reentering in the magnetic field of 45 T and persisting up to 65 T. More surprisingly, in order to induce this superconducting phase, the magnetic field has to be applied in a special angle range, not along any high symmetry crystalline direction. Here we investigated the evolution of this high-field-induced superconducting phase under pressure. Two superconducting phases merge together under pressure, and the zero resistance persists up to 45 T, the field limit of the current study. We also reveal that the high-field-induced superconducting phase is completely decoupled from the first-order field-polarized phase transition, different from the previously known example of field-induced superconductivity in URhGe, indicating superconductivity boosted by a different paring mechanism.

Materials Science↗

Quasi-particle interference of the van Hove singularity in Sr2RuO4

Abstract The single-layered ruthenate Sr 2 RuO 4 is one of the most enigmatic unconventional superconductors. While for many years it was thought to be the best candidate for a chiral p -wave superconducting ground state, desirable for topological quantum computations, recent experiments suggest a singlet state, ruling out the original p -wave scenario. The superconductivity as well as the properties of the multi-layered compounds of the ruthenate perovskites are strongly influenced by a van Hove singularity in proximity of the Fermi energy. Tiny structural distortions move the van Hove singularity across the Fermi energy with dramatic consequences for the physical properties. Here, we determine the electronic structure of the van Hove singularity in the surface layer of Sr 2 RuO 4 by quasi-particle interference imaging. We trace its dispersion and demonstrate from a model calculation accounting for the full vacuum overlap of the wave functions that its detection is facilitated through the octahedral rotations in the surface layer.

36 MATERIALS SCIENCE↗

High-temperature phonon-mediated superconductivity in monolayer Mg 2 B 4 C 2

A two-dimensional material – Mg 2 B 4 C 2 , belonging to the family of the conventional superconductor MgB 2 , is theoretically predicted to exhibit superconductivity with critical temperature T c estimated in the 47–48 K range (predicted using the McMillian-Allen-Dynes formula) without any tuning of external parameters such as doping, strain, or substrate-induced effects. The origin of such a high intrinsic T c is ascribed to the presence of strong electron-phonon coupling and large density of states at the Fermi level. This system is obtained after replacing the chemically active boron-boron surface layers in a MgB 2 slab by chemically inactive boron-carbon layers. Hence, the surfaces of this material are inert. Our calculations confirm the stability of 2D Mg 2 B 4 C 2 . We also find that the key features of this material remain essentially unchanged when its thickness is increased by modestly increasing the number of inner MgB 2 layers.

36 MATERIALS SCIENCE↗

Electronic nature of the pseudogap in electron-doped Sr 2 IrO 4

In high-temperature ($T_c$) cuprate superconductors, many exotic phenomena are rooted in the enigmatic pseudogap state, which has been interpreted as consisting of preformed Cooper pairs or competing orders or a combination thereof. Observation of pseudogap phenomenologically in electron-doped Sr 2 IrO 4 —the 5d electron counterpart of the cuprates, has spurred intense interest in the strontium iridates as a testbed for exploring the exotic physics of the cuprates. Here, we examine the pseudogap state of electron-doped Sr 2 IrO 4 by angle-resolved photoemission spectroscopy (ARPES) and parallel theoretical modeling. Our analysis demonstrates that the pseudogap state of Sr 2 IrO 4 appears without breaking the particle–hole symmetry or inducing spectral broadening which are telltale signatures of competing orders in the cuprates. We find quasiparticle dispersion and its temperature dependence in the pseudogap state of Sr 2 IrO 4 to point to an electronic order with a zero scattering wave vector and limited correlation length. Particle–hole symmetric preformed Cooper pairs are discussed as a viable mechanism for such an electronic order. The potential roles of incommensurate density waves are also discussed.

36 MATERIALS SCIENCE↗

Infinite-layer nickelates as Ni-e $g$ Hund’s metals

The recent and exciting discovery of superconductivity in the hole-doped infinite-layer nickelate Nd 1-$δ$ Sr $δ$ NiO 2 draws strong attention to correlated quantum materials. From a theoretical viewpoint, this class of unconventional superconducting materials provides an opportunity to unveil a physics hidden in correlated quantum materials. Here we study the temperature and doping dependence of the local spectrum as well as the charge, spin and orbital susceptibilities from first principles. By using ab initio LQSGW+DMFT methodology, we show that onsite Hund’s coupling in Ni-$d$ orbitals gives rise to multiple signatures of Hund’s metallic phase in Ni-e $g$ orbitals. The proposed picture of the nickelates as an e $g$ (two orbital) Hund’s metal differs from the picture of the Fe-based superconductors as a five orbital Hund’s metal as well as the picture of the cuprates as doped charge transfer insulators. Our finding uncovers a new class of the Hund’s metals and has potential implications for the broad range of correlated two orbital systems away from half-filling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗