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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Crystallization of spin superlattices with pressure and field in the layered magnet SrCu 2 (BO 3 ) 2

An exact mapping between quantum spins and boson gases provides fresh approaches to the creation of quantum condensates and crystals. Here we report on magnetization measurements on the dimerized quantum magnet SrCu 2 (BO 3 ) 2 at cryogenic temperatures and through a quantum-phase transition that demonstrate the emergence of fractionally filled bosonic crystals in mesoscopic patterns, specified by a sequence of magnetization plateaus. We apply tens of Teslas of magnetic field to tune the density of bosons and gigapascals of hydrostatic pressure to regulate the underlying interactions. Simulations help parse the balance between energy and geometry in the emergent spin superlattices. In conclusion, the magnetic crystallites are the end result of a progression from a direct product of singlet states in each short dimer at zero field to preferred filling fractions of spin-triplet bosons in each dimer at large magnetic field, enriching the known possibilities for collective states in both quantum spin and atomic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reference lattice, sound, stiffness, and magnetic transitions of Ising monolayers

A reference lattice, away from which elastic distortions induced by the spin texturing of two-dimensional (2D) magnets take hold, is motivated from a picture of pairwise Biot-Savart interactions among identical solenoids that either elongate or compress a (“zero-current”) spring lattice. Applied to a paradigmatic CrSiTe 3 monolayer, the reference is given by the average between the atomic positions of ferromagnetic (FM) and Néel antiferromagnetic (AFM) lattices; such an atomic disposition permits understanding structural distortions and elastic energies due to magnetism readily. Furthermore, the anisotropic speed of sound in the magnetic ground state explains an observed anisotropy of vibrational frequencies on similar magnets. Elastic stiffness constants are reported, too. Magnetic energies in four Ising structural configurations were calculated and the strain needed for those 2D magnets to undergo an AFM to FM quantum phase transition was determined as well.

density functional theory↗
DOE OSTI2021

Visualizing broken symmetry and topological defects in a quantum Hall ferromagnet

The interaction between electrons in graphene under high magnetic fields drives the formation of a rich set of quantum Hall ferromagnetic (QHFM) phases with broken spin or valley symmetry. Visualizing atomic-scale electronic wave functions with scanning tunneling spectroscopy (STS), we resolved microscopic signatures of valley ordering in QHFM phases and spectral features of fractional quantum Hall phases of graphene. At charge neutrality, we observed a field-tuned continuous quantum phase transition from a valley-polarized state to an intervalley coherent state, with a Kekulé distortion of its electronic density. Mapping the valley texture extracted from STS measurements of the Kekulé phase, we could visualize valley skyrmion excitations localized near charged defects. Our techniques can be applied to examine valley-ordered phases and their topological excitations in a wide range of materials.

valley symmetry↗
DOE OSTI2016

Quantum critical scaling in the disordered itinerant ferromagnet UCo 1-x Fe x Ge

The Belitz-Kirkpatrick-Vojta (BKV) theory shows in excellent agreement with experiment that ferromagnetic quantum phase transitions (QPTs) in clean metals are generally first order due to the coupling of the magnetization to electronic soft modes, in contrast to the classical analogue that is an archetypical second-order phase transition. For disordered metals the BKV theory predicts that the secondorder nature of the QPT is restored because the electronic soft modes change their nature from ballistic to diffusive. Lastly, our low-temperature magnetization study identifies the ferromagnetic QPT in the disordered metal UCo 1$-$x Fe x Ge as the first clear example that exhibits the associated critical exponents predicted by the BKV theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Renormalization of quantum discord and Bell nonlocality in the XXZ model with Dzyaloshinskii–Moriya interaction

In this paper, we have investigated the dynamical behaviors of the two important quantum correlation witnesses, i.e. geometric quantum discord (GQD) and Bell–CHSH inequality in the XXZ model with DM interaction by employing the quantum renormalization group (QRG) method. The results have shown that the anisotropy suppresses the quantum correlations while the DM interaction can enhance them. Meanwhile, using the QRG method we have studied the quantum phase transition of GQD and obtained two saturated values, which are associated with two different phases: spin-fluid phase and the Néel phase. It is worth mentioning that the block–block correlation is not strong enough to violate the Bell–CHSH inequality in the whole iteration steps. Moreover, the nonanalytic phenomenon and scaling behavior of Bell inequality are discussed in detail. As a byproduct, the conjecture that the exact lower and upper bounds of Bell inequality versus GQD can always be established for this spin system although the given density matrix is a general X state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Synthesis and emerging properties of 2D layered III–VI metal chalcogenides

Atomically thin layered III–VI metal chalcogenides are an emerging class of 2D materials that have attracted increasing attention in recent years due to their remarkable physical properties and technological applications. Thanks to the recently developed theoretical and experimental methods, a number of exciting discoveries for these materials have revealed their new phases, a unique “Mexican hat”-shaped electronic band structure, and superior optical and electronic properties that distinguish them from other 2D materials such as transition metal dichalcogenides. This review summarizes the novel properties, structures, and synthesis strategies for these materials and emphasizes the most cutting-edge and seminal achievements in this rapidly growing field in order to provide input for future research works. We first present the rich crystal structure and phases that have been found in these materials, with an emphasis on the possibility of phase engineering. Then, we discuss the synthesis strategies for 2D layered III–VI metal chalcogenides from the top-down, bottom-up, and template-based chemical conversion approaches. We focus on the highly controlled synthesis methods that provide fine-tuning of the thickness, phase, edge structure, and other morphological characteristics. Third, we discuss the properties and applications of these materials, focusing on their unique electronic structure including the Mexican hat-shaped valence band, their superior nonlinear optical properties, high-performance electronic devices, promising photoelectrochemical properties, and emerging quantum properties such as quantum emission, exciton condensation, ferromagnetism, and topological quantum phase transition. To conclude, we provide our perspective on the current challenges and future directions in this field.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Microscopic out-of-equilibrium analysis of the zero-bias conductance peak in a one-dimensional topological superconductor

Recently there has been a lot of excitement generated by the possibility of realizing and detecting Majorana fermions within the arena of condensed matter physics and its potential implication for topological quantum computing. In the pursuit of identifying and understanding the signatures of Majorana fermions in realistic systems, we go beyond the low-energy effective-model descriptions of Majorana bound states to derive non-equilibrium transport properties of a topological superconducting wire in the presence of arbitrarily large applied voltages. By virtue of a microscopic calculation we are able to model the tunnel coupling between the superconducting wire and the metallic leads realistically, study the role of high-energy non-topological excitations, predict how the behavior compares for an increasing number of odd versus even number of sites, and study the evolution across the topological quantum phase transition. We consider the Kitaev model as well as its specific realization in terms of a semiconductor-superconductor hybrid structures. Our results have concrete implications for the experimental search and study of Majorana fermions. Here I provide a brief selected summary of the talk presented during the fourth conference on Nuclei and Mesoscopic Physics (NMP14) which took place during May 5th-9th, 2014 at the National Superconducting Cyclotron Laboratory (NSCL), on the campus of Michigan State University, in East Lansing, Michigan.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Exploring a New Regime of Molecular Orbital Physics in 4⁢d Cluster Magnets with Resonant Inelastic X-Ray Scattering

Molecular orbital systems with clusters of heavy transition metal (TM) ions are one of the most important classes of model materials for studying the interplay between local physics and effects of itinerancy. Despite a large number of candidates identified in the family of 4⁢d TM materials, an understanding of their physics from competing microscopic energy scales is still missing. Here, we bridge this gap by reporting the first resonant inelastic x-ray scattering (RIXS) measurement on a well-known series of Ru cluster magnets with a 6⁢H-perovskite structure Ba 3 ⁢M⁢Ru 2 ⁢O 9 (M 3+ = In 3+ , Y 3+ , La 3+ ) comprised of Ru dimers. In addition to providing a microscopic explanation for their anomalous magnetic properties, our RIXS measurements combined with theoretical modeling uncover a new regime of molecular orbital physics where the combined effect of large hopping and small spin-orbit coupling results in highly fragile electronic states in the Ru-dimer compounds directly manifested as an abrupt change in the RIXS spectrum accompanying a tiny change in the local structure tuned by the M-site ion. This unique combination of energy scales found only in the 4⁢d but not the 5⁢d cluster magnets highlights the value of these materials as a new platform for studying quantum phase transition involving molecular orbitals.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Playing Nonlocal Games across a Topological Phase Transition on a Quantum Computer

Many-body quantum games provide a natural perspective on phases of matter in quantum hardware, crisply relating the quantum correlations inherent in phases of matter to the securing of quantum advantage at a device-oriented task. In this Letter, we introduce a family of multiplayer quantum games for which topologically ordered phases of matter are a resource yielding quantum advantage. Unlike previous examples, quantum advantage persists away from the exactly solvable point and is robust to arbitrary local perturbations, irrespective of system size. We demonstrate this robustness experimentally on Quantinuum’s H1-1 quantum computer by playing the game with a continuous family of randomly deformed toric code states that can be created with constant-depth circuits leveraging midcircuit measurements and unitary feedback. We are thus able to tune through a topological phase transition—witnessed by the loss of robust quantum advantage—on currently available quantum hardware. This behavior is contrasted with an analogous family of deformed Greenberger-Horne-Zeilinger states, for which arbitrarily weak local perturbations destroy quantum advantage in the thermodynamic limit. Lastly, we discuss a topological interpretation of the game, which leads to a natural generalization involving an arbitrary number of players.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Loading an Equidistant Ion Chain in a Ring Shaped Surface Trap and Anomalous Heating Studies with a High Optical Access Trap

Microfabricated segmented surface ion traps are one viable avenue to scalable quantum information processing. At Sandia National Laboratories we design, fabricate, and characterize such traps. Our unique fabrication capabilities allow us to design traps that facilitate tasks beyond quantum information processing. The design and performance of a trap with a target capability of storing hundreds of equally spaced ions on a ring is described. Such a device could aid experimental studies of phenomena as diverse as Hawking radiation, quantum phase transitions, and the Aharonov - Bohm effect. The fabricated device is demonstrated to hold a ~ 400 ion circular crystal, with 9 μm average spacing between ions. The task is accomplished by first characterizing undesired electric fields in the trapping volume and then designing and applying an electric field that substantially reduces the undesired fields. In addition, experimental efforts are described to reduce the motional heating rates in a surface trap by low energy in situ argon plasma treatment that reduces the amount of surface contaminants. The experiment explores the premise that carbonaceous compounds present on the surface contribute to the anomalous heating of secular motion modes in surface traps. This is a research area of fundamental interest to the ion trapping community, as heating adversely affects coherence and thus gate fidelity. The device used provides high optical laser access, substantially reducing scatter from the surface, and thus charging that may lead to excess micromotion. Heating rates for different axial mode frequencies are compared before and after plasma treatment. The presence of a carbon source near the plasma prevents making a conclusion on the observed absence of change in heating rates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

String-Breaking Dynamics in Quantum Adiabatic and Diabatic Processes

Confinement prohibits isolation of color charges, e.g., quarks, in nature via a process called string breaking : the separation of two charges results in an increase in the energy of a color flux, visualized as a string, connecting those charges. Eventually, creating additional charges is energetically favored, hence breaking the string. Such a phenomenon can be probed in simpler models, including quantum spin chains, enabling enhanced understanding of string-breaking dynamics. A challenging task is to understand how string breaking occurs as time elapses, in an out-of-equilibrium setting. This work establishes the phenomenology of dynamical string breaking induced by a gradual increase of string tension over time. It, thus, goes beyond instantaneous quench processes and enables tracking the real-time evolution of strings in a more controlled setting. We focus on domain-wall confinement in a family of quantum Ising chains. Our results indicate that, for sufficiently short strings and slow evolution, string breaking can be described by the transition dynamics of a two-state quantum system akin to a Landau-Zener process. For longer strings, a more intricate spatiotemporal pattern emerges: the string breaks by forming a superposition of bubbles (domains of flipped spins of varying sizes), which involve highly excited states. We finally demonstrate that string breaking driven only by quantum fluctuations can be realized in the presence of sufficiently long-ranged interactions. This work holds immediate relevance for studying string breaking in quantum-simulation experiments.

Ising model↗
DOE OSTI2020

Universality between vector-like and chiral quiver gauge theories: anomalies and domain walls

We study low-energy dynamics of [SU($\textit{N}$)]$^K$ chiral quiver gauge theories in connection with $\mathcal{N}$ = 1 super Yang-Mills (SYM) theory, and quantum chromodynamics with bi-fundamental fermions (QCD(BF)). These theories can be obtained by $\mathbb Z_K$ orbifold projections of $\mathcal{N}$ = 1 SU($\textit{N K}$) SYM theory, but the perturbative planar equivalence does not extend nonperturbatively for $\textit{K}$ ≥ 3. In order to study low-energy behaviors, we analyze these systems using ’t Hooft anomaly matching and reliable semiclassics on $\mathbb R^3 × S^1$. Thanks to ’t Hooft anomaly that involves 1-form center symmetry and discrete chiral symmetry, we predict that chiral symmetry must be spontaneously broken in the confinement phase, and there exist $\textit{N}$ vacua. Theories with even $\textit{K}$ possess a physical θ angle despite the presence of massless fermions, and we further predict the $\textit{N}$-branch structure associated with it; the number of vacua is enhanced to 2$\textit{N}$ at θ = π due to spontaneous $\textit{C P}$ breaking. Both of these predictions are explicitly confirmed by reliable semiclassics on $\mathbb R^3 × S^1$ with the double-trace deformation. Symmetry and anomaly of odd-$\textit{K}$ theories are the same as those of the $\mathcal{N}$ = 1 SYM, and the ones of even-$\textit{K}$ theories are same as those of QCD(BF). We unveil why there exists universality between vector-like and chiral quiver theories, and conjecture that their ground states can be continuously deformed without quantum phase transitions. We briefly discuss anomaly inflow on the domain walls connecting the vacua of the theory and possible anomaly matching scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Effect of CuO{sub 2} Lattice Strain on the Electronic Structure and Properties of High-T{sub c} Cuprate Family

Doping and strain dependences of the electronic structure of the CuO{sub 6}-octahedra layer within LDA+GTB method in the frameworks of six-band p-d model are calculated. Band structure and Fermi surface of the quasiparticle excitations in the effective Hubbard model are characterized by inhomogeneous distribution of the k-dependent spectral weight. Doping results in reconstruction of the band structure, redistribution of the spectral weight over dispersion surface, and reconstruction of Fermi surface from small hole pockets in the underdoped region to large hole contour in the overdoped region through two quantum phase transitions (QPT). Strain increasing leads to displacement of the valence and conductivity bands, bandwidths decreasing, and shift of the concentrations corresponding to QPTs. Strain dependences of the antiferromagnetic exchange coupling and DOS at the Fermi level determining superconducting temperature T{sub c} are obtained. Effective exchange coupling in the equation for T{sub c} demonstrates monotonic strain dependence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ground-state and dynamical properties of two-dimensional dipolar Fermi liquids

We study the ground-state properties of a two-dimensional spin-polarized fluid of dipolar fermions within the Euler–Lagrange Fermi-hypernetted-chain approximation. Our method is based on the solution of a scattering Schrödinger equation for the “pair amplitude” √(g(r)), where g(r) is the pair distribution function. A key ingredient in our theory is the effective pair potential, which includes a bosonic term from Jastrow–Feenberg correlations and a fermionic contribution from kinetic energy and exchange, which is tailored to reproduce the Hartree–Fock limit at weak coupling. Very good agreement with recent results based on quantum Monte Carlo simulations is achieved over a wide range of coupling constants up to the liquid-to-crystal quantum phase transition. Using the fluctuation–dissipation theorem and a static approximation for the effective inter-particle interactions, we calculate the dynamical density–density response function, and furthermore demonstrate that an undamped zero-sound mode exists for any value of the interaction strength, down to infinitesimally weak couplings. -- Highlights: •We have studied the ground state properties of a strongly correlated two-dimensional fluid of dipolar fermions. •We have calculated the effective inter-particle interaction and the dynamical density–density response function. •We have shown that an undamped zero sound mode exists at any value of the interaction strength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Vanishing k-space fidelity and phase diagram’s bulk–edge–bulk correspondence

The fidelity between two infinitesimally close states and the fidelity susceptibility of a system are known to detect quantum phase transitions. Here we show that the k-space fidelity between two states far from each other and taken deep inside (bulk) of two phases, generically vanishes at the k-points where there are gapless points in the energy spectrum that give origin to the lines (edges) separating the phases in the phase diagram. We consider a general case of two-band models and present a sufficient condition for the existence of gapless points, given there are pairs of parameter points for which the fidelity between the corresponding states is zero. By presenting an explicit counter-example, we show that the sufficient condition is not necessary. Further, we show that, unless the set of parameter points is suitably constrained, the existence of gapless points generically implies accompanied pairs of parameter points with vanishing fidelity. Also, we show the connection between the vanishing fidelity and gapless points on a number of concrete examples (topological triplet superconductor, topological insulator, 1d Kitaev model of spinless fermions, BCS superconductor, Ising model in a transverse field, graphene and Haldane Chern insulator), as well as for the more general case of Dirac-like Hamiltonians. We also briefly discuss the relation between the vanishing fidelity and gapless points at finite temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Electronic in-plane symmetry breaking at field-tuned quantum criticality in CeRhIn 5

Electronic nematics are exotic states of matter where electronic interactions break a rotational symmetry of the underlying lattice, in analogy to the directional alignment without translational order in nematic liquid crystals. Intriguingly such phases appear in the copper- and iron-based superconductors, and their role in establishing high-temperature superconductivity remains an open question. Nematicity may take an active part, cooperating or competing with superconductivity, or may appear accidentally in such systems. Here we present experimental evidence for a phase of nematic character in the heavy fermion superconductor CeRhIn 5 . We observe a field-induced breaking of the electronic tetragonal symmetry of in the vicinity of an antiferromagnetic (AFM) quantum phase transition at H c ~50T. This phase appears in out-of-plane fields of H*~28T and is characterized by substantial in-plane resistivity anisotropy. The anisotropy can be aligned by a small in-plane field component, with no apparent connection to the underlying crystal structure. Furthermore no anomalies are observed in the magnetic torque, suggesting the absence of metamagnetic transitions in this field range. These observations are indicative of an electronic nematic character of the high field state in CeRhIn 5 . The appearance of nematic behavior in a phenotypical heavy fermion superconductor highlights the interrelation of nematicity and unconventional superconductivity, suggesting nematicity to be a commonality in such materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Theory of the Kitaev model in a [111] magnetic field

Recent numerical studies indicate that the antiferromagnetic Kitaev honeycomb lattice model undergoes a magnetic-field-induced quantum phase transition into a new spin-liquid phase. This intermediate-field phase has been previously characterized as a gapless spin liquid. By implementing a recently developed variational approach based on the exact fractionalized excitations of the zero-field model, we demonstrate that the field-induced spin liquid is gapped and belongs to Kitaev’s 16-fold way. Specifically, the low-field non-Abelian liquid with Chern number C = ±1 transitions into an Abelian liquid with C = ±4. The critical field and the field-dependent behaviors of key physical quantities are in good quantitative agreement with published numerical results. Furthermore, we derive an effective field theory for the field-induced critical point which readily explains the ostensibly gapless nature of the intermediate-field spin liquid.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗