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At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Magnetic phase diagram and electronic structure of UPt 2 Si 2 at high magnetic fields: A possible field-induced Lifshitz transition

We have measured Hall effect, magnetotransport and magnetostriction on the field induced phases of single crystalline UPt2Si2 in magnetic fields up to 60T at temperatures down to 50mK, this way firmly establishing the phase diagram for magnetic fields Bka and c axes. Moreover, for Bkc axis we observe strong changes in the Hall effect at the phase boundaries. From a comparison to band structure calculations utilizing the concept of a dual nature of the uranium 5f electrons, we propose that these represent field induced topological changes of the Fermi surface due to at least one Lifshitz transition. Furthermore, we find a unique history dependence of the magnetotransport and magnetostriction data, indicating that the proposed Lifshitz type transition is of a discontinuous nature, as predicted for interacting electron systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S = 1 quantum antiferromagnet [Combining micro- and macroscopic probes to untangle single-ion and spatial exchange anisotropies in a S = 1 quantum antiferromagnet]

The magnetic ground state of the quasi-one-dimensional spin-1 antiferromagnetic chain is sensitive to the relative sizes of the single-ion anisotropy (D) and the intrachain (J) and interchain (J') exchange interactions. The ratios D/J and J' /J dictate the material's placement in one of three competing phases: a Haldane gapped phase, a quantum paramagnet, and an XY-ordered state, with a quantum critical point at their junction. We have identified [Ni(HF 2 )(pyz) 2 ] SbF 6 , where pyz = pyrazine, as a rare candidate in which this behavior can be explored in detail. Combining neutron scattering (elastic and inelastic) in applied magnetic fields of up to 10 tesla and magnetization measurements in fields of up to 60 tesla with numerical modeling of experimental observables, we are able to obtain accurate values of all of the parameters of the Hamiltonian [D = 13.3(1) K, J = 10.4(3) K, and J' = 1.4(2) K], despite the polycrystalline nature of the sample. Density-functional theory calculations result in similar couplings (J = 9.2 K, J' = 1.8 K) and predict that the majority of the total spin population resides on the Ni(II) ion, while the remaining spin density is delocalized over both ligand types. Finally, the general procedures outlined in this paper permit phase boundaries and quantum-critical points to be explored in anisotropic systems for which single crystals are as yet unavailable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Electric field dependent local structure of ( K x N a 1 - x ) 0.5 B i 0.5 Ti O 3

The in situ x-ray pair-distribution function (PDF) characterization technique has been used to study the behavior of (K x Na 1–x ) 0.5 Bi 0.5 TiO 3 , as a function of electric field. As opposed to conventional x-ray Bragg diffraction techniques, PDF is sensitive to local atomic displacements, detecting local structural changes at the angstrom to nanometer scale. Several field-dependent ordering mechanisms can be observed in x = 0.15, 0.18 and at the morphotropic phase boundary composition x = 0.20. X-ray total scattering shows suppression of diffuse scattering with increasing electric-field amplitude, indicative of an increase in structural ordering. Analysis of PDF peaks in the 3–4-Å range shows ordering of Bi-Ti distances parallel to the applied electric field, illustrated by peak amplitude redistribution parallel and perpendicular to the electric-field vector. A transition from < 110 > to < 112 >-type off-center displacements of Bi relative to the neighboring Ti atoms is observable with increasing x. Analysis of PDF peak shift with electric field shows the effects of Bi-Ti redistribution and onset of piezoelectric lattice strain. Furthermore, the combination of these field-induced ordering mechanisms is consistent with local redistribution of Bi-Ti distances associated with domain reorientation and an overall increase in order of atomic displacements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Effects of interaction strength, doping, and frustration on the antiferromagnetic phase of the two-dimensional Hubbard model

Recent quantum-gas microscopy of ultracold atoms and scanning tunneling microscopy of the cuprates reveal new detailed information about doped Mott antiferromagnets, which can be compared with calculations. Using cellular dynamical mean-field theory, we map out the antiferromagnetic (AF) phase of the two-dimensional Hubbard model as a function of interaction strength U, hole doping δ, and temperature T . The Néel phase boundary is nonmonotonic as a function of U and δ. Frustration induced by second-neighbor hopping reduces Néel order more effectively at small U. The doped AF is stabilized at large U by kinetic energy and at small U by potential energy. The transition between the AF insulator and the doped metallic AF is continuous. At large U, we find in-gap states similar to those observed in scanning tunneling microscopy. Finally, we predict that, contrary to the Hubbard bands, these states are only slightly spin polarized.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Field-induced polarization rotation and phase transitions in 0.70 Pb ( M g 1 / 3 N b 2 / 3 ) O 3 – 0.30 PbTi O 3 piezoceramics observed by in situ high-energy x-ray scattering

Changes to the crystal structure of 0.70Pb(Mg 1/3 Nb 2/3 )O 3 –0.30PbTiO 3 (PMN-0.30PT) piezoceramic under application of electric fields at the long-range and local scale are revealed by in situ high-energy x-ray diffraction (XRD) and pair-distribution function (PDF) analyses, respectively. The crystal structure of unpoled samples is identified as monoclinic Cm at both the long-range and local scale. In situ XRD results suggest that field-induced polarization rotation and phase transitions occur at specific field strengths. A polarization rotation pathway is proposed based on the Bragg-peak behaviors and the Le Bail fitting results of the in situ XRD patterns. The PDF results show systematic changes to the structures at the local scale, which is in agreement with the changes inferred from the in situ XRD study. More importantly, our results prove that polarization rotation can be detected and determined in a polycrystalline relaxor ferroelectric. Furthermore, this study supports the idea that multiple contributions, specifically ferroelectric-ferroelectric phase transition and polarization rotation, are responsible for the high piezoelectric properties at the morphotropic phase boundary of PMN-xPT piezoceramics.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mixing A -type and G -type B -site antiferromagnetism in A M n 1 - x F e x O 3 ( A = La , Nd )

Using a classical Heisenberg model with anisotropic nearest-neighbor superexchange and uniaxial anisotropy, I investigate the magnetic order of the transition metals on the B sites in AMn 1-x Fe x O 3 (A=La, Nd; x=[0,1]) with Monte Carlo methods. Magnetic parameters are extracted from preexisting experimental data when available and otherwise estimated with calculations. Superexchange energies are compared to density functional theory and anisotropy energies to ligand field theory, and the potential for doping-induced strain affecting these parameters is considered. I find coexistence regions of different types of magnetic order (A-type and G-type antiferromagnetism), regions with distinct magnetic transitions for the two order parameters, noncollinear ground states for intermediate values of x that decrease the amplitude of the ordered moment in a way consistent with experiment for low dopings, and a reproduction of the experimentally determined, nonmonotonic interpolation of the ordering temperatures. The detailed shape of the phase boundaries in (x,T) space is found to be diagnostic of the magnetic interactions. Finally, these results also suggest a ferrimagnetic ground state for the A 2 MnFeO 6 double perovskite with T N ≈270K for A=La and Nd.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Instability of the f -electron state in URu 2 Si 2–x P x probed using high magnetic fields

The widely studied hidden-order phase in URu 2 Si 2 exemplifies a broad class of emergent macroscopic states originating from d- and f-electron orbitals and their collective modes. This naturally has resulted in a focus on the associated elements (i.e., U and Ru), but recently it was discovered that electronic tuning on the more passive s and p orbitals fundamentally alters the electronic behavior and thus opens opportunities to disentangle the hidden-order conundrum. Here we present a detailed magnetoresistivity study of URu 2 Si 2–x P x , which focuses on two important aspects of this topic. First, we show that the anisotropy of the high field ordered states is preserved after hidden order is destroyed by Si → P chemical substitution, suggesting that this feature is mainly associated with the Kondo lattice, i.e., not hidden order itself. Second, Shubnikov–de Haas oscillations reveal that the observable parts of the Fermi surface topography are robust upon approaching the hidden-order phase boundary and the associated quasiparticle masses remain roughly constant. Furthermore, these observations place constraints on theories and prepare a path towards a resolution to the hidden-order problem.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Deaging and Asymmetric Energy Landscapes in Electrically Biased Ferroelectrics

In ferroic materials, the dielectric, piezoelectric, magnetic, and elastic coefficients are significantly affected by the motion of domain walls. This motion can be described as the propagation of a wall across various types and strengths of pinning centers that collectively constitute a force profile or energetic landscape. Biased domain structures and asymmetric energy landscapes can be created through application of high fields (such as during electrical poling), and the material behavior in such states is often highly asymmetric. In some cases, this behavior can be considered as the electric analogue to the Bauschinger effect. The present Letter uses time-resolved, high-energy x-ray Bragg scattering to probe this asymmetry and the associated deaging effect in the ferroelectric morphotropic phase boundary composition 0.36BiScO{sub 3}-0.64PbTiO{sub 3}.

Tutuncu, Goknur↗
DOE OSTI2015

First-order melting of a weak spin-orbit mott insulator into a correlated metal

Herein, the electronic phase diagram of the weak spin-orbit Mott insulator (Sr 1-x La x ) 3 Ir 2 O 7 is determined via an exhaustive experimental study. Upon doping electrons via La substitution, an immediate collapse in resistivity occurs along with a narrow regime of nanoscale phase separation comprised of antiferromagnetic, insulating regions and paramagnetic, metallic puddles persisting until x≈0.04. Continued electron doping results in an abrupt, first-order phase boundary where the Néel state is suppressed and a homogenous, correlated, metallic state appears with an enhanced spin susceptibility and local moments. In conclusion, as the metallic state is stabilized, a weak structural distortion develops and suggests a competing instability with the parent spin-orbit Mott state.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Electron-Hole Asymmetric Chiral Breakdown of Reentrant Quantum Hall States

Reentrant integer quantum Hall (RIQH) states are believed to be correlated electron solid phases, although their microscopic description remains unclear. As bias current increases, longitudinal and Hall resistivities measured for these states exhibit multiple sharp breakdown transitions, a signature unique to RIQH states. A comparison of RIQH breakdown characteristics at multiple voltage probes indicates that these signatures can be ascribed to a phase boundary between broken-down and unbroken regions, spreading chirally from source and drain contacts as a function of bias current and passing voltage probes one by one. The chiral sense of the spreading is not set by the chirality of the edge state itself, instead depending on electron- or holelike character of the RIQH state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Bose-Einstein Condensation of Long-Lifetime Polaritons in Thermal Equilibrium

The experimental realization of Bose-Einstein condensation (BEC) with atoms and quasiparticles has triggered wide exploration of macroscopic quantum effects. Microcavity polaritons are of particular interest because quantum phenomena such as BEC and superfluidity can be observed at elevated temperatures. However, polariton lifetimes are typically too short to permit thermal equilibration. This has led to debate about whether polariton condensation is intrinsically a nonequilibrium effect. Here we report the first unambiguous observation of BEC of optically trapped polaritons in thermal equilibrium in a high-$Q$ microcavity, evidenced by equilibrium Bose-Einstein distributions over broad ranges of polariton densities and bath temperatures. With thermal equilibrium established, we verify that polariton condensation is a phase transition with a well-defined density-temperature phase diagram. We report the measured phase boundary agrees well with the predictions of basic quantum gas theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Crystallization in the Fractional Quantum Hall Regime Induced by Landau-Level Mixing

Here, the interplay between strongly correlated liquid and crystal phases for two-dimensional electrons exposed to a high transverse magnetic field is of fundamental interest. Through the non-perturbative fixed phase diffusion Monte Carlo method, we determine the phase diagram of the Wigner crystal in the ν – κ plane, where ν is the filling factor and κ is the strength of Landau level mixing. The phase boundary is seen to exhibit a striking ν dependence, with the states away from the magic filling factors ν = n/(2pn + 1) being much more susceptible to crystallization due to Landau level mixing than those at ν = n/(2pn + 1). Our results explain the qualitative difference between the experimental behaviors observed in n-doped and p-doped GaAs quantum wells, and, in particular, the existence of an insulating state for ν < 1/3 and also for 1/3 < ν < 2/5 in low density p-doped systems. We predict that in the vicinity of ν = 1/5 and ν = 2/9, increasing LL mixing causes a transition not into an ordinary electron Wigner crystal but rather into a strongly correlated crystal of composite fermions carrying two vortices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Radial Two-Dimensional Ion Crystals in a Linear Paul Trap

We experimentally study two-dimensional (2D) Coulomb crystals in the “radial-2D” phase of a linear Paul trap. This phase is identified by a 2D ion lattice aligned entirely with the radial plane and is created by imposing a large ratio of axial to radial trapping potentials. Using arrays of up to 19 171 Yb + ions, we demonstrate that the structural phase boundaries of such crystals are well described by the pseudopotential approximation, despite the time-dependent ion positions driven by intrinsic micromotion. We further observe that micromotion-induced heating of the radial-2D crystal is confined to the radial plane. Finally, we verify that the transverse motional modes, which are used in most ion-trap quantum simulation schemes, are well-predictable numerically and remain decoupled and cold in this geometry. Our results establish radial-2D ion crystals as a robust experimental platform for realizing a variety of theoretical proposals in quantum simulation and computation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Structural Amorphization-Induced Topological Order

Electronic properties of crystals are inherently pertained to crystalline symmetry, so that amorphization that lowers and breaks symmetry is detrimental. One important crystalline property is electron band topology which is known to be weakened and destroyed by structural disorder. Here, we report a counterintuitive theoretical discovery that atomic structural disorder by amorphization can in fact induce electronic order of topology in an otherwise topologically trivial crystal. The resulting nontrivial topology is characterized by a nonzero spin Bott index, associated with robust topological edge states and quantized conductance. Further, the underlying topological phase transition (TPT) from a trivial crystal to a topological amorphous is analyzed by mapping out a phase diagram in the degree of structural disorder using an effective medium theory. The atomic disorder is revealed to induce topological order by renormalizing the spectral gap toward nontriviality near the phase boundary. As a concrete example, we further show such TPT in amorphous stanane by first-principles calculations. Our findings point to possible observation of an electronic ordering transition accompanied by a structural disorder transition.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Interaction Effects on the Dynamical Anderson Metal-Insulator Transition Using Kicked Quantum Gases

Understanding the interplay of interaction and disorder in quantum transport poses long-standing scientific challenges for theory and experiment. While highly controlled ultracold atomic platforms combining atomic interactions with spatially disordered lattices have led to remarkable advances, the extension of such controlled studies to phenomena in high-dimensional disordered systems, such as the three-dimensional Anderson metal-insulator transition has been limited. Kicked quantum gases provide an alternate experimental platform that captures the Anderson model in momentum space and features dynamical localization as the analog of Anderson localization. Here, we utilize a momentum space lattice platform using quasiperiodically kicked ultracold atomic gases to experimentally investigate interaction effects on the three-dimensional dynamical Anderson metal-insulator transition. Here, we observe interaction-driven subdiffusion and a divergence of delocalization onset time on approaching the phase boundary. Mean-field numerical simulations show qualitative agreement with experimental observations, but with significant quantitative deviations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

High-pressure Seebeck coefficients and thermoelectric behaviors of Bi and PbTe measured using a Paris-Edinburgh cell

A new sample cell assembly design for the Paris-Edinburgh type large-volume press for simultaneous measurements of X-ray diffraction, electrical resistance, Seebeck coefficient and relative changes in the thermal conductance at high pressures has been developed. The feasibility of performing in situ measurements of the Seebeck coefficient and thermal measurements is demonstrated by observing well known solid–solid phase transitions of bismuth (Bi) up to 3 GPa and 450 K. A reversible polarity flip has been observed in the Seebeck coefficient across the Bi-I to Bi-II phase boundary. Also, successful Seebeck coefficient measurements have been performed for the classical high-temperature thermoelectric material PbTe under high pressure and temperature conditions. In addition, the relative change in the thermal conductivity was measured and a relative change in ZT, the dimensionless figure of merit, is described. Furthermore, this new capability enables pressure-induced structural changes to be directly correlated to electrical and thermal properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Local and long-range atomic/magnetic structure of non-stoichiometric spinel iron oxide nanocrystallites

Spinel iron oxide nanoparticles of different mean sizes in the range 10–25 nm have been prepared by surfactant-free up-scalable near- and super-critical hydrothermal synthesis pathways and characterized using a wide range of advanced structural characterization methods to provide a highly detailed structural description. The atomic structure is examined by combined Rietveld analysis of synchrotron powder X-ray diffraction (PXRD) data and time-of-flight neutron powder-diffraction (NPD) data. The local atomic ordering is further analysed by pair distribution function (PDF) analysis of both X-ray and neutron total-scattering data. It is observed that a non-stoichiometric structural model based on a tetragonal γ-Fe 2 O 3 phase with vacancy ordering in the structure (space group P 4 3 2 1 2) yields the best fit to the PXRD and total-scattering data. Detailed peak-profile analysis reveals a shorter coherence length for the superstructure, which may be attributed to the vacancy-ordered domains being smaller than the size of the crystallites and/or the presence of anti-phase boundaries, faulting or other disorder effects. The intermediate stoichiometry between that of γ-Fe 2 O 3 and Fe 3 O 4 is confirmed by refinement of the Fe/O stoichiometry in the scattering data and quantitative analysis of Mössbauer spectra. The structural characterization is complemented by nano/micro-structural analysis using transmission electron microscopy (TEM), elemental mapping using scanning TEM, energy-dispersive X-ray spectroscopy and the measurement of macroscopic magnetic properties using vibrating sample magnetometry. Notably, no evidence is found of a Fe 3 O 4 /γ-Fe 2 O 3 core-shell nanostructure being present, which had previously been suggested for non-stoichiometric spinel iron oxide nanoparticles. Finally, the study is concluded using the magnetic PDF (mPDF) method to model the neutron total-scattering data and determine the local magnetic ordering and magnetic domain sizes in the iron oxide nanoparticles. The mPDF data analysis reveals ferrimagnetic collinear ordering of the spins in the structure and the magnetic domain sizes to be ∼60–70% of the total nanoparticle sizes. The present study is the first in which mPDF analysis has been applied to magnetic nanoparticles, establishing a successful precedent for future studies of magnetic nanoparticles using this technique.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Freeze-cast yttria-stabilized zirconia pore networks: Effects of alcohol additives

Freeze casting yttria-stabilized zirconia (YSZ) can be useful in making electrodes for solid oxide fuel cells (SOFCs) by introducing hierarchical porosity to increase triple-phase boundary (TPB) area while maintaining adequate fuel flow. Here, in this work, the influence of alcohol additives on pore structure of aqueous YSZ freeze-cast samples was investigated. Slurries with ethanol, iso-propyl alcohol, or methanol as additives were compared to a control sample. Pore characteristics along sample lengths were measured using X-ray computed tomography reconstructions. The control sample showed significant changes in pore size along sample length, whereas pore size of the alcohol additive samples remained similar, indicating that freezing rates of the additive samples remained constant during solidification. Finally, ice lens formation and interactions between alcohols and slurry functional additives (dispersant, surfactant, and binder) resulted in complex pore structures which show promise in increasing SOFC TPB area.

36 MATERIALS SCIENCE↗