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Results for “Quantum Phase Transition”

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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Valley Stoner instability of the composite Fermi sea

We study two-component electrons in the lowest Landau level at total filling factor ν T = 1/2 with anisotropic mass tensors and principal axes rotated by π/2 as realized in aluminum arsenide (AlAs) quantum wells. Combining exact diagonalization and the density matrix renormalization group we demonstrate that the system undergoes a quantum phase transition from a gapless state in which both flavors are equally populated to another gapless state in which all the electrons spontaneously polarize into a single flavor beyond a critical mass anisotropy of m x /m y ~7. We propose that this phase transition is a form of itinerant Stoner transition between a two-component and a single-component composite Fermi sea states and describe a set of trial wave functions which successfully capture the quantum numbers and shell filling effects in finite size systems as well as providing a physical picture for the energetics of these states. Our estimates indicate that the composite Fermi sea of AlAs is the analog of an itinerant Stoner magnet with a finite spontaneous valley polarization. Here, we pinpoint experimental evidence indicating the presence of Stoner magnetism in the Jain states surrounding ν = 1/2.

2-dimensional systems↗
DOE OSTI2020

State preparation and measurement in a quantum simulation of the $O(\mathrm{3})$ sigma model

Recently, Singh and Chandrasekharan [Phys. Rev. D 100, 054505 (2019)] showed that fixed points of the nonlinear O ( 3 ) sigma model can be reproduced near a quantum phase transition of a spin model with just two qubits per lattice site. In a paper by the NuQS Collaboration [Phys. Rev. Lett. 123, 090501 (2019)], the proposal is made to simulate such field theories on a quantum computer using the universal properties of a similar model. In this paper, following that direction, we demonstrate how to prepare the ground state of the model from Singh and Chandrasekharan and measure a dynamical quantity of interest, the O ( 3 ) Noether charge, on a quantum computer. In particular, we apply Trotter methods to obtain results for the complexity of adiabatic ground state preparation in both the weak-coupling and quantum-critical regimes and use shadow tomography to measure the dynamics of local observables. Finally, we then present and analyze a quantum algorithm based on nonunitary randomized simulation methods that may yield an approach suitable for intermediate-term noisy quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Signature of quantum Griffiths singularity state in a layered quasi-one-dimensional superconductor

Quantum Griffiths singularity was theoretically proposed to interpret the phenomenon of divergent dynamical exponent in quantum phase transitions. It has been discovered experimentally in three-dimensional (3D) magnetic metal systems and two-dimensional (2D) superconductors. But, whether this state exists in lower dimensional systems remains elusive. Here, we report the signature of quantum Griffiths singularity state in quasi-one-dimensional (1D) Ta2PdS5 nanowires. The superconducting critical field shows a strong anisotropic behavior and a violation of the Pauli limit in a parallel magnetic field configuration. Current-voltage measurements exhibit hysteresis loops and a series of multiple voltage steps in transition to the normal state, indicating a quasi-1D nature of the superconductivity. Surprisingly, the nanowire undergoes a superconductor-metal transition when the magnetic field increases. Upon approaching the zero-temperature quantum critical point, the system uncovers the signature of the quantum Griffiths singularity state arising from enhanced quenched disorders, where the dynamical critical exponent becomes diverging rather than being constant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Quantum Loop Topography for Machine Learning

Despite rapidly growing interest in harnessing machine learning in the study of quantum many-body systems, training neural networks to identify quantum phases is a nontrivial challenge. The key challenge is in efficiently extracting essential information from the many-body Hamiltonian or wave function and turning the information into an image that can be fed into a neural network. When targeting topological phases, this task becomes particularly challenging as topological phases are defined in terms of nonlocal properties. Here, we introduce quantum loop topography (QLT): a procedure of constructing a multidimensional image from the “sample” Hamiltonian or wave function by evaluating two-point operators that form loops at independent Monte Carlo steps. The loop configuration is guided by the characteristic response for defining the phase, which is Hall conductivity for the cases at hand. Feeding QLT to a fully connected neural network with a single hidden layer, we demonstrate that the architecture can be effectively trained to distinguish the Chern insulator and the fractional Chern insulator from trivial insulators with high fidelity. In addition to establishing the first case of obtaining a phase diagram with a topological quantum phase transition with machine learning, the perspective of bridging traditional condensed matter theory with machine learning will be broadly valuable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Massive Dirac Fermion Observed in Lanthanide-Doped Topological Insulator Thin Films

The breaking of time reversal symmetry (TRS) in three-dimensional (3D) topological insulators (TIs), and thus the opening of a ‘Dirac-mass gap’ in the linearly dispersed Dirac surface state, is a prerequisite for unlocking exotic physical states. Introducing ferromagnetic long-range order by transition metal doping has been shown to break TRS. Here, we present the study of lanthanide (Ln) doped Bi2Te3, where the magnetic doping with high-moment lanthanides promises large energy gaps. Using molecular beam epitaxy, single-crystalline, rhombohedral thin films with Ln concentrations of up to ~35%, substituting on Bi sites, were achieved for Dy, Gd, and Ho doping. Angle-resolved photoemission spectroscopy shows the characteristic Dirac cone for Gd and Ho doping. In contrast, for Dy doping above a critical doping concentration, a gap opening is observed via the decreased spectral intensity at the Dirac point, indicating a topological quantum phase transition persisting up to room-temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

First-principles study of an S = 1 quasi one-dimensional quantum molecular magnetic material

We use density functional theory to study the structural, magnetic, and electronic structures of the organometallic quantum magnet NiCl 2-4 SC (NH 2 ) 2 (DTN). Recent work has demonstrated the quasi one-dimensional nature of the molecular crystal and studied its quantum phase transitions at low temperatures. The system includes a magnetoelectric (ME) coupling and, when doped with Br, the presence of an exotic Bose-glass state. Using the generalized gradient approximation with inclusion of a van der Waals term to account for weak intermolecular forces and by introducing a Hubbard U term to the total energy, we systematically show that our calculations reproduce the magnetic anisotropy, the intermolecular exchange coupling strength, and the magnetoelectric effect in DTN, which have been observed in previous experiments. Further analysis of the electronic structure gives insight into the underlying magnetic interactions, including what mechanisms may be causing the ME effect. Using this computationally efficient model, we predict what effect applying an electric field might have on the magnetic properties of this quantum magnet.

1-dimensional spin chains↗
DOE OSTI2016

Top-gated field-effect LaAlO{sub 3}/SrTiO{sub 3} devices made by ion-irradiation

We present a method to fabricate top-gated field-effect devices in a LaAlO{sub 3}/SrTiO{sub 3} two-dimensional electron gas (2-DEG). Prior to the gate deposition, the realisation of micron size conducting channels in the 2-DEG is achieved by an ion-irradiation with high-energy oxygen ions. After identifying the ion fluence as the key parameter that determines the electrical transport properties of the channels, we demonstrate the field-effect operation. At low temperature, the normal state resistance and the superconducting T{sub c} can be tuned over a wide range by a top-gate voltage without any leakage. A superconductor-to-insulator quantum phase transition is observed for a strong depletion of the 2-DEG.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Phase separation at the dimer-superconductor transition in Ir 1-x Rh x Te 2

The detailed evolution of the local atomic structure across the (x, T) phase diagram of transition metal dichalcogenide superconductor Ir 1–x Rh x Te 2 (0≤x≤0.3, 10 K≤T≤300 K) is obtained from high quality x-ray diffraction data using the atomic pair distribution function (PDF) method. Observed hysteretic thermal structural phase transition from trigonal (P3¯m1) to triclinic (P1¯) dimer phase for low Rh content emphasizes intimate connection between the lattice and electronic properties. For superconducting samples away from the dimer/superconductor phase boundary structural transition is absent and the local structure remains trigonal down to 10 K. In the narrow range of compositions close to the boundary PDF analysis reveals structural phase separation, suggestive of weak first order character of the Rh-doping induced dimer-superconductor quantum phase transition. Samples from this narrow range show weak anomalies in electronic transport and magnetization, hallmarks of the dimer phase, as well as superconductivity albeit with incomplete diamagnetic screening. Furthermore, results suggest that the dimer and superconducting orders exist in the mutually exclusive spatial regions

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Floating Block Method for Quantum Monte Carlo Simulations

Quantum Monte Carlo simulations are powerful and versatile tools for the quantum many-body problem. In addition to the usual calculations of energies and eigenstate observables, quantum Monte Carlo simulations can in principle be used to build fast and accurate many-body emulators using eigenvector continuation or design time-dependent Hamiltonians for adiabatic quantum computing. Furthermore, these new applications require something that is missing from the published literature, an efficient quantum Monte Carlo scheme for computing the inner product of ground state eigenvectors corresponding to different Hamiltonians. In this work, we introduce an algorithm called the floating block method, which solves the problem by performing Euclidean time evolution with two different Hamiltonians and interleaving the corresponding time blocks. We use the floating block method and nuclear lattice simulations to build eigenvector continuation emulators for energies of 4 He, 8 Be, 12 C, and 16 O nuclei over a range of local and nonlocal interaction couplings. From the emulator data, we identify the quantum phase transition line from a Bose gas of alpha particles to a nuclear liquid.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Identifying spinon excitations from dynamic structure factor of spin-1/2 Heisenberg antiferromagnet on the Kagome lattice

Significance In frustrated quantum magnets, the interplay between quantum fluctuation and geometric frustration may prevent magnetic ordering and result in exotic quantum spin liquids, where the spin degrees of freedom form disordered liquid-like states with novel fractionalized excitations. Here, we study the dynamical response of spin liquids on a Kagome lattice Heisenberg antiferromagnet. Our results reproduce the main observations in the inelastic neutron scattering measurements of herbertsmithite and unveil the spin liquid nature of the ground state with fractionalized spinon excitations. By crossing the quantum-phase transition between the spin liquid and magnetically ordered phase, we identify the condensation of two-spinon bound state as the driving force.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Variational Quantum Fidelity Estimation

Computing quantum state fidelity will be important to verify and characterize states prepared on a quantum computer. In this work, we propose novel lower and upper bounds for the fidelity F ( ρ , σ ) based on the ``truncated fidelity'' F ( ρ m , σ ) , which is evaluated for a state ρ m obtained by projecting ρ onto its m -largest eigenvalues. Our bounds can be refined, i.e., they tighten monotonically with m . To compute our bounds, we introduce a hybrid quantum-classical algorithm, called Variational Quantum Fidelity Estimation, that involves three steps: (1) variationally diagonalize ρ , (2) compute matrix elements of σ in the eigenbasis of ρ , and (3) combine these matrix elements to compute our bounds. Our algorithm is aimed at the case where σ is arbitrary and ρ is low rank, which we call low-rank fidelity estimation, and we prove that no classical algorithm can efficiently solve this problem under reasonable assumptions. Finally, we demonstrate that our bounds can detect quantum phase transitions and are often tighter than previously known computable bounds for realistic situations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Na-functionalized Ir Te 2 monolayer: Suppressed charge ordering and electric field tuned topological phase transition

Two-dimensional materials with atomic thickness usually possess superior tunability by surface adsorption than their bulk counterparts, showing great promise for novel nanotechnologies. In layered transition-metal dichalcogenide IrTe 2 there exhibits complex structural distortions induced by charge ordering, resulting in difficulties for the applications of its corresponding monolayer material. Here, using first-principles calculations, we demonstrate that depositing Na on the surface of the IrTe 2 monolayer can suppress the structural distortion to form a stable NaIrTe 2 sheet. It naturally breaks the inversion symmetry to enable a Rashba-type spin splitting for potential spintronic applications. In addition, the introduced empty Na s band and the valence band of the IrTe 2 monolayer can be inverted by the application of a perpendicular electric field, achieving a quantum phase transition from normal to topological insulator. Such an electric field-controlled topological phase transition is promising for the realization of topological field-effect transistors. Furthermore, these findings not only provide a feasible approach to stabilizing the IrTe 2 monolayer, but also broaden its applications in spintronics and low-dissipation topoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Direct visualization of phase separation between superconducting and nematic domains in Co-doped CaFe 2 As 2 close to a first-order phase transition

We show that biaxial strain induces alternating tetragonal superconducting and orthorhombic nematic domains in Co substituted CaFe 2 As 2 . We use Atomic Force, Magnetic Force and Scanning Tunneling Microscopy (AFM, MFM and STM) to identify the domains and characterize their properties, nding in particular that tetragonal superconducting domains are very elongated, more than several tens of μm long and about 30 nm wide, have the same Tc than unstrained samples and hold vortices in a magnetic eld. Thus, biaxial strain produces a phase separated state, where each phase is equivalent to what is found at either side of the rst order phase transition between antiferromagnetic orthorhombic and superconducting tetragonal phases found in unstrained samples when changing Co concentration. Having such alternating superconducting domains separated by normal conducting domains with sizes of order of the coherence length opens opportunities to build Josephson junction networks or vortex pinning arrays and suggests that first order quantum phase transitions lead to nanometric size phase separation under the influence of strain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Entanglement dynamics in critical random quantum Ising chain with perturbations

We simulate the entanglement dynamics in a critical random quantum Ising chain with generic perturbations using the time-evolving block decimation algorithm. Starting from a product state, we observe super-logarithmic growth of entanglement entropy with time. The numerical result is consistent with the analytical prediction of Vosk and Altman using a real-space renormalization group technique. - Highlights: • We study the dynamical quantum phase transition between many-body localized phases. • We simulate the dynamics of a very long random spin chain with matrix product states. • We observe numerically super-logarithmic growth of entanglement entropy with time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Magnetic order in the van der Waals antiferromagnet CrPS 4 : Anisotropic H – T phase diagrams and effects of pressure

Here, single crystalline samples of the van der Waals antiferromagnet CrPS 4 were studied by measurements of specific heat and comprehensive anisotropic temperature- and magnetic-field-dependent magnetization. In addition, measurements of the heat capacity and magnetization were performed under pressures of up to ~ 21 and ~ 14 kbar, respectively. At ambient pressure, two magnetic transitions are observed: second order from a paramagnetic to an antiferromagnetic state at T N ~ 37 K, and a first-order spin reorientation transition at T * ~ 34 K. Anisotropic H – T phase diagrams were constructed using the M ( T , H ) data. As pressure is increased, T N is weakly suppressed with d T N / d P ≈ – 0.1 K/kbar. T * , on the other hand, is suppressed quite rapidly, with d T * / d P ≈ – 2 K/kbar, extrapolating to a possible quantum phase transition at P c ~ 15 kbar.

2-dimensional systems↗
DOE OSTI2024

Disentangling the physics of the attractive Hubbard model as a fully interacting model of fermions via the accessible and symmetry-resolved entanglement entropies

The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information science has demonstrated that more global diagnostics of quantum states like the entanglement entropy can provide a complementary and clarifying lens on electronic behavior. One particularly useful measure that can be used to distinguish between quantum and classical sources of entanglement is the accessible entanglement, the entanglement available as a quantum resource for systems subject to conservation laws, such as fixed particle number, due to superselection rules. In this work, we introduce an algorithm and demonstrate how to compute accessible and symmetry-resolved entanglements for interacting fermion systems. This is accomplished by combining an incremental version of the swap algorithm with a recursive auxiliary field quantum Monte Carlo algorithm recently developed by the authors. We apply these tools to study the pairing and charge density waves exhibited in the paradigmatic attractive Hubbard model via entanglement. We find that the particle and spin symmetry-resolved entanglements and their related full probability distribution functions show very clear—and unique—signatures of the underlying electronic behavior even when those features are less pronounced in conventional correlation functions. Altogether, this work provides a systematic means of characterizing the entanglement within quantum systems that can grant a deeper understanding of the complicated electronic behavior that underlies quantum phase transitions and crossovers in many-body systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Decay and renormalization of a longitudinal mode in a quasi-two-dimensional antiferromagnet

Abstract An ongoing challenge in the study of quantum materials, is to reveal and explain collective quantum effects in spin systems where interactions between different modes types are important. Here we approach this problem through a combined experimental and theoretical study of interacting transverse and longitudinal modes in an easy-plane quantum magnet near a continuous quantum phase transition. Our inelastic neutron scattering measurements of Ba 2 FeSi 2 O 7 reveal the emergence, decay, and renormalization of a longitudinal mode throughout the Brillouin zone. The decay of the longitudinal mode is particularly pronounced at the zone center. To account for the many-body effects of the interacting low-energy modes in anisotropic magnets, we generalize the standard spin-wave theory. The measured mode decay and renormalization is reproduced by including all one-loop corrections. The theoretical framework developed here is broadly applicable to quantum magnets with more than one type of low energy mode.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nuclear Theory from First Principles to Forefront Experiments (Final Report for DE-SC0018638)

The Lee research group is a part of the Nuclear Lattice Effective Field Theory Collaboration, which has developed and performed ab initio lattice simulations of nuclear structure, scattering, reactions, and many-body systems. The other senior members of the collaboration include Ulf-G. Meißner at Bonn/Julich, Evgeny Epelbaum and Hermann Krebs at Bochum, Timo Lahde and Thomas Luu at Julich, and Gautam Rupak at Mississippi State. Our letter “Ab initio alpha-alpha scattering” was featured in a Nature News and Views article. Another letter “Nuclear binding near a quantum phase transition” was highlighted in a Viewpoint article in the online APS journal Physics as well as a news article in the IOP publication Physics World (September 21, 2016). Our letter “Eigenvector continuation with subspace learning” was also highlighted a Synopsis article in Physics. There are many promising ab initio approaches being used to calculate the properties of few-and many-nucleon systems. This includes the no-core shell model, symmetry-adapted no-core shell model quantum Monte Carlo, auxiliary-field diffusion Monte Carlo, self-consistent Green’s functions, many-body perturbation theory, in-medium similarity renormalization group, and coupled cluster methods. Lattice effective field theory is another ab initio approach which combines the framework of effective field theory with lattice Monte Carlo methods to allow favorable scaling from few- to many-body systems. Perhaps the most important aspect of lattice effective field theory is that its strengths and weaknesses are orthogonal to that of other ab initio methods. For example, lattice effective field theory has little difficulty in probing cluster structures and collectivity, while such features are much more difficult using other methods. Furthermore it can be used to compute superfluid condensate fractions as well as the phase diagram of strongly matter and the density and temperature dependence of clustering. Lattice effective field theory was first used in simulations of infinite nuclear matter and infinite neutron matter with pions and without pions. In addition to the efforts by our collaboration, there have been recent efforts by other groups as well.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗