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DOE OSTI2021

Multitude of topological phase transitions in bipartite dice and Lieb lattices with interacting electrons and Rashba coupling

We report the results of a Hartree-Fock study applied to interacting electrons moving in two different bipartite lattices: the dice and the Lieb lattices, at half-filling. Both lattices develop ferrimagnetic order in the phase diagram U-λ, where U is the Hubbard on-site repulsion and λ is the Rashba spin-orbit coupling strength. Our main result is the observation of an unexpected multitude of topological phases for both lattices. All these phases are ferrimagnetic, but they differ among themselves in their set of six Chern numbers (six numbers because the unit cells have three atoms). Here, the Chern numbers |C| observed in our study range from 0 to 3, showing that large Chern numbers can be obtained by the effect of electronic correlations, adding to the recently discussed methodologies to increase |C| based on extending the hopping range in tight-binding models, using sudden quenches, or photonic crystals, all without including electronic interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Kondo Signatures of a Quantum Magnetic Impurity in Topological Superconductors

We investigate the Kondo physics of a quantum magnetic impurity in two-dimensional topological superconductors (TSCs), either intrinsic or induced on the surface of a bulk topological insulator, using a numerical renormalization group technique. We show that, despite sharing the $\mathcal{p + ip}$ pairing symmetry, intrinsic and extrinsic TSCs host different physical processes that produce distinct Kondo signatures. Extrinsic TSCs harbor an unusual screening mechanism involving both electron and orbital degrees of freedom that produces rich and prominent Kondo phenomena, especially an intriguing pseudospin Kondo singlet state in the superconducting gap and a spatially anisotropic spin correlation. In sharp contrast, intrinsic TSCs support a robust impurity spin doublet ground state and an isotropic spin correlation. These results advance fundamental knowledge of novel Kondo phenomena in TSCs and suggest experimental avenues for their detection and distinction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

NSTX-U In-Vessel Control Coils’ Design Concept

In this paper, a successful conceptual design was completed to develop in-vessel control coils [non-axisymmetric control coils (NCCs)]. The NCCs are a series of saddle coils that are intended to satisfy a number of physics criteria including magnetic breaking, error field control, fast resistive wall mode (RWM) control, and edge-localized-mode stabilization. Customized mineral-insulated cable (MIC) was selected for the conductor material. The MIC was made from oxygen-free copper conductor, high purity magnesium oxide powder insulation, and 304 stainless steel sleeve cover. Sample MIC was purchased from an outside supplier, and various tests were conducted for design and performance verification including high-voltage testing, which necessitated the development of special test terminations. A concept design was also developed for terminating the MIC ends using the nonconductive and vacuum-sealed technique. Two alternative designs were proposed for joints inside the vacuum vessel (VV). The NCCs are designed to be mounted in front of the primary passive plates and underneath the plasma-facing component (PFC) tiles. The passive plates will be modified to accommodate the coils. A new PFC tile design concept was developed using high-Z materials. New designs for the penetrations through the VV wall were developed. One port per coil was planned. Finally, a new power patch panel will be required to provide the ability for various combinations of connections between the NCC, the existing RWM coils, and the existing switching power amplifier power suppliers.

42 ENGINEERING↗

DOE OSTI2019

Real-Time Monitoring of Temperature Rises of Energized Transformer Cores With Distributed Optical Fiber Sensors

Real-time temperature mapping that solves local overheating problems is important for obtaining an optimized thermal design for high-efficiency power transformers. Internal temperature monitoring of operating power transformers can also be leveraged for asset monitoring applications targeting at fault detection enabling condition-based maintenance. Transformers present a variety of challenging sensing environments such as high levels of electromagnetic interference and limited space for conventional sensors to operate. Immersion of power transformers in insulation oils for thermal management during operation and the presence of relatively large and time-varying electrical and occasional magnetic fields make sensing technologies requiring electrical wires or active power at sensing locations highly undesirable. In this work, we investigate thermal response of a standard telecom fiber instrumented on compact transformer cores by using an optical frequency-domain reflectometry scheme. As a result, correlation between conventional temperature sensing methods and fiber-optic sensing results as well as tradeoffs between spatial resolution and temperature measurement accuracy is discussed and spatially resolved real-time monitoring of temperatures in energized transformers is experimentally demonstrated.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Realization of an intrinsic ferromagnetic topological state in MnBi 8 Te 13

Novel magnetic topological materials pave the way for studying the interplay between band topology and magnetism. However, an intrinsically ferromagnetic topological material with only topological bands at the charge neutrality energy has so far remained elusive. Using rational design, we synthesized MnBi 8 Te 13 , a natural heterostructure with [MnBi 2 Te 4 ] and [Bi 2 Te 3 ] layers. Thermodynamic, transport, and neutron diffraction measurements show that despite the adjacent [MnBi 2 Te 4 ] being 44.1 Å apart, MnBi 8 Te 13 manifests long-range ferromagnetism below 10.5 K with strong coupling between magnetism and charge carriers. First-principles calculations and angle-resolved photoemission spectroscopy measurements reveal it is an axion insulator with sizable surface hybridization gaps. Our calculations further demonstrate the hybridization gap persists in the two-dimensional limit with a nontrivial Chern number. Therefore, as an intrinsic ferromagnetic axion insulator with clean low-energy band structures, MnBi 8 Te 13 serves as an ideal system to investigate rich emergent phenomena, including the quantized anomalous Hall effect and quantized magnetoelectric effect.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Spin density waves predicted in zigzag puckered phosphorene, arsenene and antimonene nanoribbons

The pursuit of controlled magnetism in semiconductors has been a persisting goal in condensed matter physics. Recently, Vene (phosphorene, arsenene and antimonene) has been predicted as a new class of 2D-semiconductor with suitable band gap and high carrier mobility. In this work, we investigate the edge magnetism in zigzag puckered Vene nanoribbons (ZVNRs) based on the density functional theory. The band structures of ZVNRs show half-filled bands crossing the Fermi level at the midpoint of reciprocal lattice vectors, indicating a strong Peierls instability. To remove this instability, we consider two different mechanisms, namely, spin density wave (SDW) caused by electron-electron interaction and charge density wave (CDW) caused by electron-phonon coupling. We have found that an antiferromagnetic Mott-insulating state defined by SDW is the ground state of ZVNRs. In particular, SDW in ZVNRs displays several surprising characteristics:1) comparing with other nanoribbon systems, their magnetic moments are antiparallelly arranged at each zigzag edge and almost independent on the width of nanoribbons; 2) comparing with other SDW systems, its magnetic moments and band gap of SDW are unexpectedly large, indicating a higher SDW transition temperature in ZVNRs; 3) SDW can be effectively modified by strains and charge doping, which indicates that ZVNRs have bright prospects in nanoelectronic device.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Orbital Hybridization and Magnetic Coupling at Cuprate–Manganite Interfaces Driven by Manganite Doping

Fundamental understanding of interface mechanisms that generate unexpected physical properties in the cuprate/manganite heterostructures is essential for possible applications as spintronic devices. In this study, CaCuO 2 /La 1–x Sr x MnO 3 (CCO/LSMO) superlattices are investigated, where the infinite-layer cuprate CCO does not have apical oxygen for Cu in the Ca-plane so that the Mn–O–Cu superexchange coupling can be only present at the MnO 2 –(La,Sr)O–CuO 2 interface. Two different doping states for the manganites are studied, namely x = 0.1 and x = 0.3, corresponding to the ferromagnetic insulating and ferromagnetic metallic states, respectively, in the manganite phase diagram. Linear and circular dichroism in X-ray absorption by synchrotron radiation at Cu and Mn L-edges clearly demonstrate that in the absence of apical oxygen in the cuprate block, the magnetic coupling between the LSMO and CCO is weakly ferromagnetic when LSMO is metallic, while it is antiferromagnetic when LSMO is insulating, along with an increased Cu 3d(3z 2 –r 2 ) and Mn 3d(3z 2 –r 2 ) orbital occupation. It is proposed that the Mn 3d valence band upward shift driven by the enhancement of Mn 3+ content in the underdoped sample enhances the orbital hybridization. The stronger hybridization at the interface MnO 2 –(La,Sr)O–CuO 2 gives rise to the antiferromagnetic coupling between cuprate and underdoped manganite.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Electron spin resonance study of the La{sub 0.8}Sr{sub 0.2}MnO{sub 3} nanoparticle-decorated carbon nanotubes

Graphical abstract: Inverse spin susceptibilities obtained by integration of the distinct ESR line components of the LSMO-CNTs system as a function of temperature. - Highlights: • Spin/charge dynamics in La{sub 0.8}Sr{sub 0.2}MnO{sub 3}-decorated CNTs studied by EPR. • One spin species revealed only paramagnetic–superparamagnetic phase transition. • Another spin species manifested reflected weak localization of spin/charge carriers. • Spins participating in the magnetic phase transition and the itinerant spins well separated by EPR. - Abstract: We have studied La{sub 0.8}Sr{sub 0.2}MnO{sub 3} (LSMO) nanoparticle-decorated carbon nanotubes (CNTs) by means of the electron spin resonance (ESR) spectroscopy in view of our previous work on the magnetic and electrical properties of the system. One of the line components of the ESR spectrum reflected a paramagnetic–superparamagnetic phase transition at T{sub SP}∼200 K, which is accompanied by a concomitant metal–insulator transition (MIT) associated with charge transport taking place through the CNTs network triggered by the LSMO nanoparticles. On the other hand, another ESR line component revealed anomalies at T{sub WL}∼170 K as well, attributable to a 2D weak localization effect of the spin/charge carriers. Thus, magnetic interactions and dynamics of the distinct spin species were sensitively reflected in the LSMO-CNTs system.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Spin Stripe Order in a Square Planar Trilayer Nickelate.

Trilayer nickelates, which exhibit a high degree of orbital polarization combined with an electron count (d(8.67)) corresponding to overdoped cuprates, have been identified as a promising candidate platform for achieving high-T-c superconductivity. One such material, La4Ni3O8, undergoes a semiconductor-insulator transition at similar to 105 K, which was recently shown to arise from the formation of charge stripes. However, an outstanding issue has been the origin of an anomaly in the magnetic susceptibility at the transition and whether it signifies the formation of spin stripes akin to single layer nickelates. Here we report single crystal neutron diffraction measurements (both polarized and unpolarized) that establish that the ground state is indeed magnetic. The ordering is modeled as antiferromagnetic spin stripes that are commensurate with the charge stripes, the magnetic ordering occurring in individual trilayers that are essentially uncorrelated along the crystallographic c axis. A comparison of the charge and spin stripe order parameters reveals that, in contrast to single-layer nickelates such as La2-xSrxNiO4 as well as related quasi-2D oxides including manganites, cobaltates, and cuprates, these orders uniquely appear simultaneously, thus demonstrating a stronger coupling between spin and charge than in these related low-dimensional correlated oxides.

Zhang, Junjie↗

DOE OSTI2020

Josephson behavior in a metal-decorated topological-insulator Bi 0.91 Sb 0.09

We have fabricated W nanoscale clusters on a topological insulator Bi 0.91 Sb 0.09 . The W island arrays effectively induce two-dimensional superconductivity at the surface of Bi 0.91 Sb 0.09 via the superconducting proximity effect. We find that this heterostructure behaves as a dynamic Josephson junction, which shows a Fraunhofer-like pattern of the critical current versus the applied magnetic field. Microwave irradiation experiments reveal the existence of a 4π-periodic supercurrent carried by the topological surface state. Our results open up a route to induce topological superconductivity in a topological insulator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2017

Fiber Bragg Grating Dilatometry in Extreme Magnetic Field and Cryogenic Conditions

In this work, we review single mode SiO 2 fiber Bragg grating techniques for dilatometry studies of small single-crystalline samples in the extreme environments of very high, continuous, and pulsed magnetic fields of up to 150 T and at cryogenic temperatures down to <1 K. Distinct millimeter-long materials are measured as part of the technique development, including metallic, insulating, and radioactive compounds. Experimental strategies are discussed for the observation and analysis of the related thermal expansion and magnetostriction of materials, which can achieve a strain sensitivity (ΔL/L) as low as a few parts in one hundred million (≈10 -8 ). The impact of experimental artifacts, such as those originating in the temperature dependence of the fiber’s index of diffraction, light polarization rotation in magnetic fields, and reduced strain transfer from millimeter-long specimens, is analyzed quantitatively using analytic models available in the literature. We compare the experimental results with model predictions in the small-sample limit, and discuss the uncovered discrepancies.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Topological Insulator State in Thin Bismuth Films Subjected to Plane Tensile Strain

The results of experimental examination of galvanomagnetic properties of thin bismuth films subjected to plane tensile strain resulting from the difference in thermal expansion coefficients of the substrate material and bismuth are presented. The resistivity, the magnetoresistance, and the Hall coefficient were studied at temperatures ranging from 5 to 300 K in magnetic fields as strong as 0.65 T. Carrier densities were calculated. A considerable increase in carrier density in films thinner than 30 nm was observed. This suggests that surface states are more prominent in thin bismuth films on mica substrates, while the films themselves may exhibit the properties of a topological insulator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Basics and prospective of magnetic Heusler compounds

Heusler compounds are a remarkable class of materials with more than 1000 members and a wide range of extraordinary multi-functionalities including halfmetallic high-temperature ferri- and ferromagnets, multi-ferroics, shape memory alloys, and tunable topological insulators with a high potential for spintronics, energy technologies, and magneto-caloric applications. The tunability of this class of materials is exceptional and nearly every functionality can be designed. Co{sub 2}-Heusler compounds show high spin polarization in tunnel junction devices and spin-resolved photoemission. Manganese-rich Heusler compounds attract much interest in the context of spin transfer torque, spin Hall effect, and rare earth free hard magnets. Most Mn{sub 2}-Heusler compounds crystallize in the inverse structure and are characterized by antiparallel coupling of magnetic moments on Mn atoms; the ferrimagnetic order and the lack of inversion symmetry lead to the emergence of new properties that are absent in ferromagnetic centrosymmetric Heusler structures, such as non-collinear magnetism, topological Hall effect, and skyrmions. Tetragonal Heusler compounds with large magneto crystalline anisotropy can be easily designed by positioning the Fermi energy at the van Hove singularity in one of the spin channels. Here, we give a comprehensive overview and a prospective on the magnetic properties of Heusler materials.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Ground State and Hidden Symmetry of Magic-Angle Graphene at Even Integer Filling

In magic angle twisted bilayer graphene (TBG), electron-electron interactions play a central role, resulting in correlated insulating states at certain integer fillings. Identifying the nature of these insulators is a central question, and it is potentially linked to the relatively high-temperature superconductivity observed in the same devices. Here, we address this question using a combination of analytical strong-coupling arguments and a comprehensive Hartree-Fock numerical calculation, which includes the effect of remote bands. The ground state we obtain at charge neutrality is an unusual ordered state, which we call the Kramers intervalley-coherent (K-IVC) insulator. In its simplest form, the K-IVC order exhibits a pattern of alternating circulating currents that triples the graphene unit cell, leading to an “orbital magnetization density wave.” Although translation and time-reversal symmetry are broken, a combined “Kramers” time-reversal symmetry is preserved. Our analytic arguments are built on first identifying an approximate U⁡(4) × U⁡(4) symmetry, resulting from the remarkable properties of the TBG band structure, which helps select a low-energy manifold of states that are further split to favor the K-IVC state. This low-energy manifold is also found in the Hartree-Fock numerical calculation. We show that symmetry-lowering perturbations can stabilize other insulators and the semimetallic state, and we discuss the ground state at half-filling and give a comparison with experiments.

Bultinck, Nick↗

DOE OSTI2015

Field-induced quantum metal–insulator transition in the pyrochlore iridate Nd 2 Ir 2 O 7

The metal–insulator transition (MIT) is a hallmark of strong correlation in solids. Quantum MITs at zero temperature have been observed in various systems tuned by either carrier doping or bandwidth. However, such transitions have rarely been induced by application of magnetic field, as normally the field scale is too small in comparison with the charge gap, whose size is a fraction of the Coulomb repulsion energy (~1 eV). Here we report the discovery of a quantum MIT tuned by a field of ~10 T, whose magnetoresistance exceeds 60,000%. In particular, our anisotropic magnetotransport measurements on the cubic insulator Nd 2 Ir 2 O 7 (ref. 4) reveal that the insulating state can be suppressed by such a field to a zero-temperature quantum MIT, but only for fields near the [001] axis. The strong sensitivity to the field direction is remarkable for a cubic crystal, as is the fact that the MIT can be driven by such a small magnetic field, given the 45 meV gap energy, which is of order of 50 times the Zeeman energy for an Ir 4+ spin. The systematic change in the MIT from continuous near zero field to first order under fields indicates the existence of a tricritical point proximate to the quantum MIT. Here, we argue that these phenomena imply both strong correlation effects on the Ir electrons and an active role for the Nd spins.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Topological transitions in multi-band superconductors

The search for Majorana fermions has been concentrated in topological insulators or superconductors. In general, the existence of these modes requires the presence of spin–orbit interactions and of an external magnetic field. The former implies in having systems with broken inversion symmetry, while the latter breaks time reversal invariance. In a recent paper, we have shown that a two-band metal with an attractive inter-band interaction has non-trivial superconducting properties, if the k-dependent hybridization is anti-symmetric in the wave-vector. This is the case, if the crystalline potential mixes states with different parities as for orbitals with angular momentum l and l+1. In this paper we take into account the effect of an external magnetic field, not considered in the previous investigation, in a two-band metal and show how it modifies the topological properties of its superconducting state. We also discuss the conditions for the appearance of Majorana fermions in this system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2012

High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF{sub 3}

NaNiF{sub 3} perovskite was found to transform to post-perovskite at 16-18 GPa and 1273-1473 K. The equilibrium transition boundary is expressed as P (GPa)=-2.0+0.014 Multiplication-Sign T (K). Structure refinements indicated that NaNiF{sub 3} perovskite and post-perovskite have almost regular NiF{sub 6} octahedra consistent with absence of the first-order Jahn-Teller active ions. Both NaNiF{sub 3} perovskite and post-perovskite are insulators. The perovskite underwent a canted antiferromagnetic transition at 156 K, and the post-perovskite antiferromagnetic transition at 22 K. Magnetic exchange interaction of NaNiF{sub 3} post-perovskite is smaller than that of perovskite, reflecting larger distortion of Ni-F-Ni network and lower dimension of octahedral arrangement in post-perovskite than those in perovskite. - Graphical abstract: Perovskite-post-perovskite transition in NaNiF{sub 3} at high pressure Highlights: Black-Right-Pointing-Pointer NaNiF{sub 3} perovskite (Pv) transforms to post-perovskite (pPv) at 16 GPa and 1300 K. Black-Right-Pointing-Pointer The equilibrium transition boundary is expressed as P (GPa)=-2.0+0.014 T (K). Black-Right-Pointing-Pointer Antiferromagnetic transition occurs at 156 K in Pv and 22 K in pPv.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Asymmetric electroresistance of cluster glass state in manganites

We report the electrostatic modulation of transport in strained Pr{sub 0.65}(Ca{sub 0.75}Sr{sub 0.25}){sub 0.35}MnO{sub 3} thin films grown on SrTiO{sub 3} by gating with ionic liquid in electric double layer transistors (EDLT). In such manganite films with strong phase separation, a cluster glass magnetic state emerges at low temperatures with a spin freezing temperature of about 99 K, which is accompanied by the reentrant insulating state with high resistance below 30 K. In the EDLT, we observe bipolar and asymmetric modulation of the channel resistance, as well as an enhanced electroresistance up to 200% at positive gate bias. Our results provide insights on the carrier-density-dependent correlated electron physics of cluster glass systems.

36 MATERIALS SCIENCE↗