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At least 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Momentum-resolved lattice dynamics of parent and electron-doped Sr2IrO4

The mixing of orbital and spin character in the wavefunctions of the 5d iridates has led to predictions of strong couplings between their lattice, electronic and magnetic degrees of freedom. As well as realising a novel spin-orbit assisted Mott-insulating ground state, the perovskite iridate Sr 2 IrO 4 has strong similarities with the cuprate La 2 CuO 4 , which on doping hosts a charge density wave that appears intimately connected to high-temperature superconductivity. These phenomena can be sensitively probed through momentum-resolved measurements of the lattice dynamics, made possible by meV-resolution inelastic x-ray scattering. Here we report the rst such measurements for both parent and electron-doped Sr2IrO4. We nd that the low-energy phonon dispersions and intensities in both compounds are well described by the same non-magnetic DFT calculation. In the parent compound, no changes of the phonons upon magnetic ordering are discernible within the experimental resolution, and in the doped compound no anomalies are apparent due to charge density waves. These measurements extend our knowledge of the lattice properties of (Sr 1-x La x ) 2 IrO 4 , and constrain the couplings of the phonons to magnetic and charge order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

$A$-type antiferromagnetic order and magnetic phase diagram of the trigonal Eu spin-$\frac{7}{2}$ triangular-lattice compound $\mathrm{EuSn_2As_2}$

The trigonal compound EuSn 2 As 2 was recently discovered to host Dirac surface states within the bulk band gap and orders antiferromagnetically below the N´eel temperature T N = 23.5(2) K from neutron-diffraction measurements. Here the magnetic ground state of single-crystal EuSn 2 As 2 and the evolution of its properties versus temperature T and applied magnetic field H are reported. Included are the zero-field single-crystal neutron diffraction measurements versus T, magnetization M(H, T), magnetic susceptibility χ(H, T) = M(H,T)/H, heat capacity C p (H, T), and electrical resistivity ρ(H, T) measurements. The neutron-diffraction and χ(T) measurements both indicate a collinear A-type antiferromagnetic (AFM) structure below T N , where the Eu 2+ spins S = 7/2 in a triangular ab-plane layer (hexagonal unit cell) are aligned ferromagnetically in the ab plane whereas the spins in adjacent Eu planes along the c axis are aligned antiferromagnetically. The χ(H ab , T) and χ(Hc, T) data together indicate a smooth crossover between the collinear AFM alignment and an unknown magnetic structure at H ≈ 0.12 T. Dynamic spin fluctuations up to 60 K are evident in the χ(T), Cp(T) and ρ(H, T) measurements, a temperature that is more than twice T N . The ρ(H, T) is consistent with a low-carrier-density metal with strong magnetic scattering and does not reflect a contribution of the topological state of the material as reported earlier by ARPES measurements. This observation is consistent with previous ones for other topological insulators where the chemical potential is above the Dirac point so that ARPES readily detects the surface states, whereas resistivity measurements do not. Finally, the magnetic phase diagrams for both H ∥ c and H ∥ ab in the H-T plane are constructed from the T N (H), χ(H, T), Cp(H, T), and ρ(H, T) data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Metal insulator transition and magnetotransport anomalies in perovskite SrIr{sub 0.5}Ru{sub 0.5}O{sub 3} thin films

We investigated the nature of transport and magnetic properties in SrIr{sub 0.5}Ru{sub 0.5}O{sub 3} (SIRO), which has characteristics intermediate between a correlated non-Fermi liquid state and an itinerant Fermi liquid state, by growing perovskite thin films on various substrates (e.g., SrTiO{sub 3} (001), (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}TaAlO{sub 6}){sub 0.7} (001), and LaAlO{sub 3} (001)). We observed systematic variation of underlying substrate dependent metal-to-insulator transition temperatures (T{sub MIT} ∼ 80 K on SrTiO{sub 3}, ∼90 K on (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}TaAlO{sub 6}){sub 0.7}, and ∼100 K on LaAlO{sub 3}) in resistivity. At temperature 300 K ≥ T ≥ T{sub MIT}, SIRO is metallic and its resistivity follows a T{sup 3/2} power law, whereas insulating nature at T < T{sub MIT} is due to the localization effect. Magnetoresistance (MR) measurement of SIRO on SrTiO{sub 3} (001) shows negative MR at T < 25 K and positive MR at T > 25 K, with negative MR ∝ B{sup 1/2} and positive MR ∝ B{sup 2}; consistent with the localized-to-normal transport crossover dynamics. Furthermore, observed spin glass like behavior of SIRO on SrTiO{sub 3} (001) at T < 25 K in the localized regime validates the hypothesis that (Anderson) localization favors glassy ordering. These remarkable features provide a promising approach for future applications and of fundamental interest in oxide thin films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Nanoscale Antiferromagnetic Domain Imaging using Full-Field Resonant X-ray Magnetic Diffraction Microscopy

The physical properties of magnetic materials frequently depend not only on the microscopic spin and electronic structures, but also on the structures of mesoscopic length scales that emerge, for instance, from domain formations, or chemical and/or electronic phase separations. However, experimental access to such mesoscopic structures is currently limited, especially for antiferromagnets with net zero magnetization. Here, full-field microscopy and resonant magnetic X-ray diffraction are combined to visualize antiferromagnetic (AF) domains of the spin–orbit Mott insulator Sr 2 IrO 4 with area over ≈0.1 mm 2 and with spatial resolution as high as ≈150 nm. With the unprecedented wide field of views and high spatial resolution, an intertwining of two AF domains on a length comparable to the measured average AF domain wall width of 545 nm is revealed. This mesoscopic structure comprises a substantial portion of the sample surface, and thus can result in a macroscopic response unexpected from its microscopic magnetic structure. In particular, the symmetry analysis presented in this work shows that the inversion symmetry, which is preserved by the microscopic AF order, becomes ill-defined at the mesoscopic length scale. We report this result underscores the importance of this novel technique for a thorough understanding of the physical properties of antiferromagnets.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Magnetic Field Effects on Optical Conductivity of Doped Armchair Graphene Nanoribbon

We address the optical conductivity of armchair graphene nanoribbon within tight-binding model Hamiltonian using Green’s function approach. The possible effects of ribbon width, magnetic field, and chemical potential on optical absorption are investigated. We have also found the dependence of the optical conductivity for various ribbon widths and chemical potentials. Our results show a peak appears in the frequency dependence of optical conductivity of graphene nanoribbon. Upon increasing ribbon width, the height of the optical conductivity at frequency of peak increases. Also, applying the magnetic field causes an increase of the optical conductivity. However, upon more increase of the magnetic field leads to a decrease of the optical conductivity. Moreover, we study the effects of chemical potentials on frequency behavior of optical absorption of graphene nanoribbon for both metallic and insulator cases.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

First-principles study of magnetism and electric field effects in 2D systems

This review article provides a bird's-eye view of what first-principles based methods can contribute to next-generation device design and simulation. After a brief overview of methods and capabilities in the area, the authors focus on published work by their group since 2015 and current work on CrI3. The authors introduce both single- and dual-gate models in the framework of density functional theory and the constrained random phase approximation in estimating the Hubbard U for 2D systems vs their 3D counterparts. A wide range of systems, including graphene-based heterogeneous systems, transition metal dichalcogenides, and topological insulators, and a rich array of physical phenomena, including the macroscopic origin of polarization, field effects on magnetic order, interface state resonance induced peak in transmission coefficients, spin filtration, etc., are covered. For CrI3, the authors present their new results on bilayer systems such as the interplay between stacking and magnetic order, pressure dependence, and electric field induced magnetic phase transitions. The authors find that a bare bilayer CrI3, graphene|bilayer CrI3|graphene, hexagonal boron nitride (h-BN)|bilayer CrI3|h-BN, and h-BN|bilayer CrI3|graphene all have a different response at high field, while at small field, the difference is small except for graphene|bilayer CrI3|graphene. The authors conclude with discussion of some ongoing work and work planned in the near future, with the inclusion of further method development and applications.

Cheng, Hai-Ping (ORCID:0000000159901725)↗
DOE OSTI2016

Ground state of underdoped cuprates in vicinity of superconductor-to-insulator transition

When an insulating underdoped cuprate is doped beyond a critical concentration (x c ), high-temperature superconductivity emerges. We have synthesized a series of La 2–x Sr x CuO 4 (LSCO) samples using the combinatorial spread technique that allows us to traverse the superconductor-to-insulator transition (SIT) in extremely fine doping steps, Δx≈0.00008. We have measured the Hall resistivity (ρ H ) as a function of temperature down to 300 mK in magnetic fields up to 9 T. At very low temperatures, ρ H shows an erratic behavior, jumps and fluctuations exceeding 100%, hysteresis, and memory effects, indicating that the insulating ground state is a charge-cluster glass (CCG). Furthermore, based on the phase diagram depicted in our experiment, we propose a unified picture to account for the anomalous electric transport in the vicinity of the SIT, suggesting that the CCG is in fact a disordered and glassy version of the charge density wave.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Thermal Weight Determination and Interstate Coupling in State-Averaged ADAPT-VQE

Characterizing electronic thermal states at low temperatures is an important but challenging task in quantum chemistry and condensed matter physics, making it a prime candidate for a useful application in quantum computing. One of the most successful methods for state preparation on quantum computers is the Adaptive, Problem-Tailored (ADAPT) Variational Quantum Eigensolver (VQE), which has recently been generalized to treat excited states within a state-averaged framework as well as Gibbs states. In this work, we introduce Helmholtz-Optimized Thermal (HOT) ADAPT-VQE, an ancilla-free strategy for preparing Gibbs states that directly minimizes the Helmholtz free energy by targeting the dominant eigenstates of the thermal ensemble. We demonstrate the usefulness of HOT-ADAPT-VQE by predicting the free energy of two model systems with strongly correlated ground states: (1) the Fe 2+ cation in a magnetic field and (2) a [Cu 2 O 7 ] 10– fragment of the Mott insulator La 2 CuO 4 . Our results demonstrate that HOT-ADAPT-VQE significantly improves upon Gibbs-state estimates from multistate variants of ADAPT-VQE, often with substantially shallower quantum circuits, making it a promising candidate for thermal-state calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Electron–Hole Asymmetry of Surface States in Topological Insulator Sb 2 Te 3 Thin Films Revealed by Magneto-Infrared Spectroscopy

When surface states (SSs) form in topological insulators (TIs), they inherit the properties of bulk bands, including the electron–hole (e–h) asymmetry but with much more profound impacts. Here via combining magneto-infrared spectroscopy with theoretical analysis, we show that e–h asymmetry significantly modifies the SS electronic structures when interplaying with the quantum confinement effect. Compared with the case without e–h asymmetry, the SSs now bear not only a band asymmetry, such as that in the bulk, but also a shift of the Dirac point relative to the bulk bands and a reduction of the hybridization gap of up to 70%. Here, our results signify the importance of e–h asymmetry in the band engineering of TIs in the thin-film limit.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Observation of Coexisting Weak Localization and Superconducting Fluctuations in Strained Sn 1– x In x Te Thin Films

Topological superconductors have attracted tremendous excitement as they are predicted to host Majorana zero modes that can be utilized for topological quantum computing. Candidate topological superconductor Sn 1–x In x Te thin films (0 < x < 0.3) grown by molecular beam epitaxy and strained in the (111) plane are shown to host quantum interference effects in the conductivity coexisting with superconducting fluctuations above the critical temperature T c . An analysis of the normal state magnetoresistance reveals these effects. A crossover from weak antilocalization to localization is consistently observed in superconducting samples, indicating that superconductivity originates dominantly from charge carriers occupying trivial states that may be strongly spin–orbit split. A large enhancement of the conductivity is observed above T c , indicating the presence of superconducting fluctuations. Furthermore, our results motivate a re-examination of the debated pairing symmetry of this material when subjected to quantum confinement and lattice strain.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Self-Field-Induced Josephson Diode Effect

Josephson diodes are of interest for nonlinear superconducting circuit elements, which have many applications such as in solid-state qubit readout and coupling. Many different mechanisms can give rise to Josephson diode effects (JDEs). In this work, we investigate JDEs generated by the self-field of the supercurrent in the junction. To this end, we experimentally investigate JDEs in the supercurrent quantum interference patterns of planar hybrid Josephson junctions, composed of a cadmium arsenide thin film interfaced with a conventional superconductor. A model that includes the supercurrent self-field accurately describes the experimental observations. We show that self-field-induced JDEs are generally expected in planar junctions in perpendicular magnetic fields, even in cases of symmetric and uniform junctions, as long as they exhibit sufficiently large critical currents. Here, we discuss the tunability of self-field-induced JDEs via the supercurrent density and other parameters.

Josephson diode↗
DOE OSTI2022

Topological kagome magnets and superconductors

A kagome lattice naturally features Dirac fermions, flat bands and van Hove singularities in its electronic structure. The Dirac fermions encode topology, flat bands favour correlated phenomena such as magnetism, and van Hove singularities can lead to instabilities towards long-range many-body orders, altogether allowing for the realization and discovery of a series of topological kagome magnets and superconductors with exotic properties. Recent progress in exploring kagome materials has revealed rich emergent phenomena resulting from the quantum interactions between geometry, topology, spin and correlation. Here we review these key developments in this field, starting from the fundamental concepts of a kagome lattice, to the realizations of Chern and Weyl topological magnetism, to various flat-band many-body correlations, and then to the puzzles of unconventional charge-density waves and superconductivity. We highlight the connection between theoretical ideas and experimental observations, and the bond between quantum interactions within kagome magnets and kagome superconductors, as well as their relation to the concepts in topological insulators, topological superconductors, Weyl semimetals and high-temperature superconductors. In conclusion, these developments broadly bridge topological quantum physics and correlated many-body physics in a wide range of bulk materials and substantially advance the frontier of topological quantum matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Magnetic interactions in a quasi-one-dimensional antiferromagnet Cu(H{sub 2}O){sub 2}(en)SO{sub 4}

A theoretical ab-initio investigation of exchange interaction between Cu atoms in an insulating antiferromagnet Cu(H{sub 2}O){sub 2}(en)SO{sub 4}, en = C{sub 2}H{sub 8}N{sub 2}, is reported. While the previous experimental studies described the system's magnetism to be quasi-two-dimensional, our results, based on a mapping of the system onto an effective Heisenberg model, rather support a quasi-one-dimensional character with the exchange coupling between the Cu atoms being propagated mainly along a zigzag line lying in the crystal's bc plane and connecting the Cu atoms through the N atoms. Further, the direction of magnetic moments on the Cu atoms is suggested to be nearly along the crystal's a axis. A check of the change in the exchange constants induced either by external pressure or by various values of U in the GGA + U approximation is made. Finally, based on experimental values of positions of broad maxima in magnetic-susceptibility and specific-heat curves and using theoretical expressions available in the literature a relevant value of the U parameter and related expected value of the electronic gap are estimated to be about 5 eV and 2 eV, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thin-film topological insulator-ferromagnet heterostructures for terahertz detection

An atomically thin topological insulator is investigated theoretically for long-wavelength photodetection when it interacts with a magnetic material. Through the coupling between top and bottom surfaces as well as the exchange interaction with the proximate ferromagnet, the distribution of optically excited carriers exhibits unique patterns that depend sensitively on the frequency of the incoming light. This effect results in the generation of strong nonzero photocurrent, leading potentially to room-temperature detection of far-infrared/THz radiation with the advantage of low noise and fast response. The ease of frequency tuning by an external electrical bias offers an added versatility in the realistic implementation.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Transport properties of La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/YBa{sub 2}Cu{sub 3}O{sub 7-δ} (LSMO/YBCO) heterostructure

We report on the transport properties of La{sub 0.7}Sr{sub 0.3}MnO{sub 3} (200 nm)/YBa{sub 2}Cu3O{sub 7-δ} (50 nm) (LSMO/YBCO) heterostructure in the presence and absence of magnetic field, deposited on LaAlO3 (001) substrate using pulsed laser deposition technique. X- ray diffraction pattern confirms that the grown heterostructure is single phase in nature. The temperature dependent resistivity shows a metallic behavior below 304 K, superconductivity is completely suppressed by the presence of thick LSMO layer. From resistivity-temperature (ρ-T) curve, we have also observed the metal to insulator transition temperature at 304 K and increases to higher temperature side (353 K) on the application of magnetic field. We found a maximum magnetoresistance ratio ∼47% at 246 K temperature. Temperature co-efficient of resistance is ∼1.7 % K{sup −1} at 202 K, can be useful for bolometric performances and temperature sensors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Spin dynamics in NaFeAs and NaFe 0.53 Cu 0.47 As probed by resonant inelastic x-ray scattering

The parent compounds of iron-based superconductors are magnetically ordered bad metals, with superconductivity appearing near a putative magnetic quantum critical point. The presence of both Hubbard repulsion and Hund’s coupling leads to rich physics in these multiorbital systems, and motivated descriptions of magnetism in terms of itinerant electrons or localized spins. The NaFe 1–x Cu x As series consists of magnetically ordered bad metal (x = 0), superconducting (x ≈ 0.02) and magnetically ordered semiconducing/insulating (x ≈ 0.5) phases, providing a platform to investigate the connection between superconductivity, magnetism and electronic correlations. Here we use x-ray absorption spectroscopy and resonant inelastic x-ray scattering to study the valence state of Fe and spin dynamics in two NaFe 1–x Cu x As compounds (x = 0 and 0.47). We find that magnetism in both compounds arises from Fe 2+ atoms, and exhibits underdamped dispersive spin waves in their respective ordered states. The dispersion of spin excitations in NaFe 0.53 Cu 0.47 As is consistent with being quasi-one-dimensional. Compared to NaFeAs, the band top of spin waves in NaFe 0.53 Cu 0.47 As is slightly softened with significantly more spectral weight of the spin excitations. Here, our results indicate the spin dynamics in NaFe 0.53 Cu 0.47 As arise from localized magnetic moments and suggest the iron-based superconductors are proximate to a correlated insulating state with localized iron moments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Tailoring transport properties of phase-separated manganite films with ordered magnetic nanostructures

Here, the magnetotransport properties of thin manganite films (La 0.7 Ca 0.3 MnO 3 ) coupled with arrays of permalloy (Py) nanodots deposited on the surface of the film are studied as a function of temperature, magnetic field, and the size of the dots. In the presence of the magnetic dots, a reduction of the electrical resistivity is observed, especially at the insulator-to-metal transition, as well as a shift of the transition peak towards higher temperatures. This indicates that, due to local interface exchange coupling, highly conductive ferromagnetic domains are nucleated in the manganite film underneath the Py nanodots. The use of a simplified resistor network model allows us to estimate the size of the metallic regions induced by exchange coupling. At low temperatures, these regions extend ~70 nm beyond the edge of the nanodots, a length scale comparable to the correlation length of the ferromagnetic clusters in the phase-separated state of La 0.7 Ca 0.3 MnO 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗