Engineering Papers⌕ Search

SEARCH · Engineering Papers

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Optical pump-terahertz probe analysis of long-lived d-electrons and relaxation to self-trapped exciton states in MnO

The dynamics of photoexcited electrons in various excited d-states was investigated in a transition metal oxide MnO by tunable optical pump-terahertz probe measurements. Photoexcited electrons in the lowest excited d-state showed the longest relaxation time among the three excited d-states that are accessible in MnO at room temperature. The relaxation rate in the lowest excited d-state showed a drastic increase below the Neel temperature T{sub N} = 120 K in MnO. We conclude that this increase is caused by the appearance of a decay channel related to magnetic-excitation-assisted photoluminescence from self-trapped exciton (STE) states. The opening of relaxation channels to the STE states in an antiferromagnetic phase suggests that it may be possible to control photocarrier lifetime by magnetic order in transition metal oxides.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Polar Kerr Effect Measurements of YBa_2Cu_3O_6+x: Evidence for Broken Symmetry Near the Pseudogap Temperature

Polar Kerr effect in the high-Tc superconductor YBa{sub 2}Cu{sub 3}O{sub 6+x} was measured at zero magnetic field with high precision using a cyogenic Sagnac fiber interferometer. We observed non-zero Kerr rotations of order {approx} 1 {micro}rad appearing near the pseudogap temperature T*, and marking what appears to be a true phase transition. Anomalous magnetic behavior in magnetic-field training of the effect suggests that time reversal symmetry is already broken above room temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Reentrant Insulating State in Ultrathin Manganite Films

The transport and magnetic properties of La{sub 0.7}Sr{sub 0.3}MnO{sub 3} thin-films grown by pulsed laser deposition on (LaAlO{sub 3}){sub 0.3}(SrAl{sub 0.5}Ta{sub 0.5}O{sub 3}){sub 0.7} single crystal substrates have been investigated. A systematic series with various thicknesses of La{sub 0.7}Sr{sub 0.3}MnO{sub 3} was used to establish a phase diagram - which showed a clear difference compared to films grown on SrTiO{sub 3} substrates, highlighting the importance of film thickness and substrate strain. At 8 unit cells, the boundary between the metallic and insulating ground states, a second abrupt metal-insulator transition was observed at low temperatures, which could be tuned with by magnetic field, and is interpreted as a signature of electronic phase separation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Strain induced Z{sub 2} topological insulating state of β-As{sub 2}Te{sub 3}

Topological insulators are non-trivial quantum states of matter which exhibit a gap in the electronic structure of their bulk form, but a gapless metallic electronic spectrum at the surface. Here, we predict a uniaxial strain induced electronic topological transition (ETT) from a band to topological insulating state in the rhombohedral phase (space group: R3{sup ¯}m) of As{sub 2}Te{sub 3} (β-As{sub 2}Te{sub 3}) through first-principles calculations including spin-orbit coupling within density functional theory. The ETT in β-As{sub 2}Te{sub 3} is shown to occur at the uniaxial strain ϵ{sub zz} = −0.05 (σ{sub zz} = 1.77 GPa), passing through a Weyl metallic state with a single Dirac cone in its electronic structure at the Γ point. We demonstrate the ETT through band inversion and reversal of parity of the top of the valence and bottom of the conduction bands leading to change in the ℤ{sub 2} topological invariant ν{sub 0} from 0 to 1 across the transition. Based on its electronic structure and phonon dispersion, we propose ultra-thin films of As{sub 2}Te{sub 3} to be promising for use in ultra-thin stress sensors, charge pumps, and thermoelectrics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The chromium doping of Ni{sub 3}Fe alloy and restructuring of grain boundary ensemble at the phase transition A1→L1{sub 2}

The grain boundary structure of the Ni{sub 3}(Fe,Cr) alloy is studied in states with a short and long-range order formed at the phase transition A1→L1{sub 2}. It is found that the new boundaries of general and special types are formed during an ordering annealing, wherein the special boundaries share increases. The spectrum of special boundaries is changed due to decreasing of ∑3 boundary share. It leads to weakening of the texture in the alloy with atomic long-range order. The features of change of the special boundaries spectrum at the phase transition A1→L1{sub 2} in the Ni{sub 3}(Fe,Cr) alloy are determined by decreasing of the stacking fault energy and the atomic mean square displacement at the chromium doping.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Vacuum phase transition solves the H 0 tension

Taking the Planck cosmic microwave background data and the more direct Hubble constant measurement data as unaffected by systematic offsets, the values of the Hubble constant H 0 interpreted within the ΛCDM cosmological constant and cold dark matter cosmological model are in ~3.3σ tension. We show that the Parker vacuum metamorphosis (VM) model, physically motivated by quantum gravitational effects and with the same number of parameters as ΛCDM, can remove the H 0 tension and can give an improved fit to data (up to a mean Δχ 2 = -7.5). It also ameliorates tensions with weak lensing data and the high redshift Lyman alpha forest data. Considering Bayesian evidence, we found in the case of the Planck data set alone positive evidence for a VM model against a cosmological constant both in the six- and nine-parameter framework. When the R16 data set is also considered, we found a strong evidence for the VM model against a cosmological constant in nine-parameter space. Here we separately consider a scale-dependent scaling of the gravitational lensing amplitude, such as provided by modified gravity, neutrino mass, or cold dark energy, motivated by the somewhat different cosmological parameter estimates for low and high CMB multipoles. We find that no such scale dependence is preferred.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Phase diagram of the TIP4P/Ice water model by enhanced sampling simulations

In this work, we studied the phase diagram for the TIP4P/Ice water model using enhanced sampling molecular dynamics simulations. Our approach is based on the calculation of ice–liquid free energy differences from biased coexistence simulations that reversibly sample the melting and growth of layers of ice. We computed a total of 19 melting points for five different ice polymorphs, which are in excellent agreement with the melting lines obtained from the integration of the Clausius–Clapeyron equation. For proton-ordered and fully proton-disordered ice phases, the results are in very good agreement with previous calculations based on thermodynamic integration. For the partially proton-disordered ice III, we find a large increase in stability that is in line with previous observations using direct coexistence simulations for the TIP4P/2005 model. This issue highlights the robustness of the approach employed here for ice polymorphs with diverse degrees of proton disorder. Our approach is general and can be applied to the calculation of other complex phase diagrams.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Atomic-scale strain manipulation of a charge density wave

Significance Charge density waves (CDWs) are simple periodic reorganizations of charge in a crystal, and yet they are still poorly understood and continue to bear surprises. External perturbations, such as strain or pressure, can in principle push a CDW phase into a different ordering geometry. However, engineering this type of quantum criticality has been experimentally challenging. Here, we implement a simple method for straining bulk materials. By applying it to 2H -NbSe 2 , a prototypical CDW system studied for decades, we discover two dramatic strain-induced CDW phase transitions. Our atomic-scale spectroscopic imaging measurements, combined with theory, reveal the distinct roles of electrons and phonons in forming these emergent states, thus opening a window into the rich phenomenology of CDWs.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Electronic and magnetic properties of the topological semimetal candidate NdSbTe

ZrSiS-type materials represent a large material family with unusual coexistence of topological nonsymmorphic Dirac fermions and nodal-line fermions. As a special group of ZrSiS family, Ln SbTe ( L n = lanthanide rare - earth ) compounds provide a unique opportunity to explore new quantum phases due to the intrinsic magnetism induced by Ln . Here we report the single-crystal growth and characterization of NdSbTe, a previously unexplored Ln SbTe compound. NdSbTe has an antiferromagnetic ground state with field-driven metamagnetic transitions similar to other known Ln SbTe , but exhibits distinct enhanced electronic correlations characterized by large a Sommerfeld coefficient of 115 mJ / mol K 2 , which is the highest among the known Ln SbTe compounds. Furthermore, our transport studies have revealed the coupling with magnetism and signatures of Kondo localization. All these findings establish NdSbTe as a platform for observing phenomena arising from the interplay between magnetism, topology, and electron correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Superconductivity and charge order of confined Fermi systems

The low-temperature properties of the two-dimensional attractive Hubbard model are strongly influenced by the fermion density. Away from half-filling, there is a finite-temperature transition to a phase with s-wave pairing order. However, T c is suppressed to zero at half-filling, where long-range charge-density-wave order also appears, degenerate with superconductivity. This paper presents determinant quantum Monte Carlo simulations of the attractive Hubbard model in the presence of a confining potential V trap which makes the fermion density ρ inhomogeneous across the lattice. Pair correlations are shown to be large at low temperatures in regions of the trapped system with incommensurate filling, and to exhibit a minimum as the local density ρ(i) passes through one fermion per site. In this ring of ρ(i)=1, charge order is enhanced. A comparison is made between treating V trap within the local-density approximation (LDA) and in an ab initio manner. It is argued that certain sharp features of the LDA result at integer filling do not survive the proximity of doped sites. Lastly, the critical temperature of confined systems of fixed characteristic density is estimated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Variational Approach to Monte Carlo Renormalization Group

We present a Monte Carlo method for computing the renormalized coupling constants and the critical exponents within renormalization theory. The scheme, which derives from a variational principle, overcomes critical slowing down, by means of a bias potential that renders the coarse grained variables uncorrelated. Here, the two-dimensional Ising model is used to illustrate the method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Isostructural electronic transition in MoS 2 probed by solid-state high-harmonic generation spectroscopy

Studying materials under extreme pressure in diamond anvil cells (DACs) is key to discovering emergent states of matter, yet no method currently allows the direct measurement of the electronic structure in this environment. Solid-state high-harmonic generation (sHHG) offers a unique all-optical window into the electronic structure of materials. We demonstrate sHHG spectroscopy inside a DAC by probing 2H-MoS 2 , up to 30 GPa, revealing a pressure-induced crossover of the lowest direct bandgap from the K-point to the Γ-point. This transition manifests as a sharp minimum in harmonic intensity and a 30° rotation of the sHHG polarization anisotropy, despite the absence of a structural phase change. First-principles simulations attribute these features to interference between competing excitation pathways at distinct points in the Brillouin zone. Our results establish sHHG as a sensitive probe of electronic transitions at high pressure, enabling access to quantum phenomena that evade detection by conventional techniques.

Nebgen, Bailey R. [University of California, Berke↗
DOE OSTI2016

Formation of snowflake domains during fast cooling of lithium tantalate crystals

Formation of the original dendrite snowflake-shape domains during fast cooling after heating above phase transition temperature by pulse laser irradiation was revealed in congruent lithium tantalate crystals. The effect was attributed to polarization reversal under the action of spatially nonuniform pyroelectric field. Two stages of the domain shape evolution at the surface were separated: (1) growth of circular domains by sideways motion of the domain walls and (2) backswitching leading to formation of the snowflake domains. The simulated spatial distribution of the pyroelectric field in regular two-dimensional structure was used for an explanation of the obtained results. The backswitching process in the surface layer has been attributed to change of the sign of the pyroelectric field at the domain wall. The snowflake domain shape is caused by the formation of isolated nanodomain fingers and hampering of their merging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Quantum Ising model on (2+1)-dimensional anti–de Sitter space using tensor networks

We study the quantum Ising model on (2+1)-dimensional anti-de Sitter space using matrix product states (MPS) and matrix product operators (MPOs). We explore the bulk phase diagram of the theory on regular tessellations of hyperbolic space with coordination number seven and find disordered and ordered phases separated by a phase transition. We find that the boundary-boundary spin correlation function exhibits power law scaling deep in the disordered phase of the Ising model consistent with holography. At the critical point, we find the boundary entanglement entropy scales logarithmically with subsystem size but away from this, we see a linear scaling. In comparison, the full system exhibits a volume law scaling, which is expected in chaotic and/or highly connected systems. We also measure out of time ordered correlators (OTOCs) to explore the scrambling behavior of the theory.

Quantum spin models↗
DOE OSTI2016

Control of magnetic relaxation by electric-field-induced ferroelectric phase transition and inhomogeneous domain switching

Electric-field modulation of magnetism in strain-mediated multiferroic heterostructures is considered a promising scheme for enabling memory and magnetic microwave devices with ultralow power consumption. However, it is not well understood how electric-field-induced strain influences magnetic relaxation, an important physical process for device applications. Here, we investigate resonant magnetization dynamics in ferromagnet/ferroelectric multiferroic heterostructures, FeGaB/PMN-PT and NiFe/PMN-PT, in two distinct strain states provided by electric-field-induced ferroelectric phase transition. The strain not only modifies magnetic anisotropy but also magnetic relaxation. In FeGaB/PMN-PT, we observe a nearly two-fold change in intrinsic Gilbert damping by electric field, which is attributed to strain-induced tuning of spin-orbit coupling. By contrast, a small but measurable change in extrinsic linewidth broadening is attributed to inhomogeneous ferroelastic domain switching during the phase transition of the PMN-PT substrate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Structural tunability and switchable exciton emission in inorganic-organic hybrids with mixed halides

Room-temperature tunable excitonic photoluminescence is demonstrated in alloy-tuned layered Inorganic-Organic (IO) hybrids, (C{sub 12}H{sub 25}NH{sub 3}){sub 2}PbI{sub 4(1−y)}Br{sub 4y} (y = 0 to 1). These perovskite IO hybrids adopt structures with alternating stacks of low-dimensional inorganic and organic layers, considered to be naturally self-assembled multiple quantum wells. These systems resemble stacked monolayer 2D semiconductors since no interlayer coupling exists. Thin films of IO hybrids exhibit sharp and strong photoluminescence (PL) at room-temperature due to stable excitons formed within the low-dimensional inorganic layers. Systematic variation in the observed exciton PL from 510 nm to 350 nm as the alloy composition is changed, is attributed to the structural readjustment of crystal packing upon increase of the Br content in the Pb-I inorganic network. The energy separation between exciton absorption and PL is attributed to the modified exciton density of states and diffusion of excitons from relatively higher energy states corresponding to bromine rich sites towards the lower energy iodine sites. Apart from compositional fluctuations, these excitons show remarkable reversible flips at temperature-induced phase transitions. All the results are successfully correlated with thermal and structural studies. Such structural engineering flexibility in these hybrids allows selective tuning of desirable exciton properties within suitable operating temperature ranges. Such wide-range PL tunability and reversible exciton switching in these novel IO hybrids paves the way to potential applications in new generation of optoelectronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Pressure-induced shift of effective Ce valence, Fermi energy and phase boundaries in CeOs 4 Sb 12

Abstract CeOs 4 Sb 12 , a member of the skutterudite family, has an unusual semimetallic low-temperature L -phase that inhabits a wedge-like area of the field H —temperature T phase diagram. We have conducted measurements of electrical transport and megahertz conductivity on CeOs 4 Sb 12 single crystals under pressures of up to 3 GPa and in high magnetic fields of up to 41 T to investigate the influence of pressure on the different H – T phase boundaries. While the high-temperature valence transition between the metallic H -phase and the L -phase is shifted to higher T by pressures of the order of 1 GPa, we observed only a marginal suppression of the S -phase that is found below 1 K for pressures of up to 1.91 GPa. High-field quantum oscillations have been observed for pressures up to 3.0 GPa and the Fermi surface of the high-field side of the H -phase is found to show a surprising decrease in size with increasing pressure, implying a change in electronic structure rather than a mere contraction of lattice parameters. We evaluate the field-dependence of the effective masses for different pressures and also reflect on the sample dependence of some of the properties of CeOs 4 Sb 12 which appears to be limited to the low-field region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Quantum Electronic Matter in Two Dimensions

Most often, the electrical properties of a material are described as either "conducting" or "insulating". Copper, everyone knows, is a good conductor. It is the foundation of the electrical infrastructure of the nation. Glass, on the other hand, is an excellent insulator. But do these two words describe all the possibilities? The answer is emphatically no, and the basic subject of the research funded by this grant is aimed at fleshing out a more complete description of the electrical properties of materials. Many people are aware that there are also special materials called superconductors. A superconductor (e.g. aluminum when cooled to very low temperatures) is like a regular conductor except that it conducts electricity with no energy loss at all. Ordinary metals get hot when current flows through them; witness the toaster in your kitchen. In a superconductor something very special is going on: The electrons in the metal don't behave individually as they do in an ordinary conductor. Instead they act collectively. It is this collective aspect that makes superconductors so interesting to physicists. So now we have metals, insulators and superconductors. Is there anything else? We now know the answer is yes. In this research we examine special conducting materials, ones in which the mobile electrons are confined to move on a plane surface (as opposed to motion in all three directions). Examples of such "2D" materials include electrons confined to the interface between two otherwise insulating materials (as in the so-called "semiconductor heterostructures" used here) and the single atomic layer of carbon atoms now known as "graphene". Materials like these are not just museum curiosities; each of the billions of transistors in every smart-phone has a 2D electron system in it. In the work supported by this grant, the focus is on both collective conducting states in semiconductor heterostructures and on the conducting properties of graphene and its few-layer cousins. In particular, the exotic collective (and deeply quantum mechanical) electronic phases which develop when a large magnetic field is applied have been a major focus of effort. Significant results have been obtained from both ordinary electrical measurements and from more sophisticated thermoelectric studies of such systems. Related studies of few-layer graphenes have elucidated the transition from the two- to three-dimensional electrical properties of carbon-based conductors. Investigations like these expand our understanding of electronic materials general. While there are certainly immediate fundamental scientific pay-offs, it is also true that research of this kind ultimately leads to technological breakthroughs in the long term. By way of example, superconductivity was undoubtedly regarded as a useless novelty when it was discovered in 1911. Who could have known then that it would become crucial to the medical revolution brought about by magnetic resonance imaging decades later?

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗