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Results for “topological 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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Quantum Phase Engineering of Two-Dimensional Post-Transition Metals by Substrates: Toward a Room-Temperature Quantum Anomalous Hall Insulator

In this work, we propose a new strategy to engineer topological and magnetic properties of two-dimensional (2D) hexagonal lattices consisting of post-transition metals. Our first-principles calculations demonstrate that substrates serve as templates to form 2D lattices with high thermodynamic stability, where their topological properties as well as magnetic properties sensitively change as a function of lattice constants, i.e., the system undergoes a first-order phase transition from nonmagnetic to ferromagnetic state above a critical lattice constant. Consequently, substrates can be used to explore versatile magnetic, electronic, and quantum topological properties. We establish phase diagrams of versatile quantum phases in terms of exchange coupling and spin–orbit coupling effectively tuned by the lattice constants. We further reveal the first room-temperature quantum anomalous Hall (QAH) effect, i.e., Sn on 2√3 × 2√3 graphane is a QAH insulator with a large spin–orbit coupling gap of ~0.2 eV and a Curie temperature of ~380 K by using the 2D anisotropic Heisenberg model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Theory of multi-orbital topological superconductivity in transition metal dichalcogenides

We study possible superconducting states in transition metal dichalcogenide (TMD) monolayers, assuming an on-site pairing potential that includes both intra- and inter-orbital terms. We find that if the mirror symmetry with respect to the system’s plane is broken (e.g., by a substrate), this type of pairing can give rise to unconventional superconductivity, including time-reversal-invariant nodal and fully gapped topological phases. Using a multi-orbital renormalization group procedure, we show how these phases may result from the interplay between the local Coulomb repulsion, Hund’s rule coupling, and phonon-mediated attraction. In particular, for a range of interaction parameters, the system transitions from a trivial phase to a nodal phase and finally to a gapped topological phase upon increasing the strength of the mirror symmetry breaking term.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Braiding of Majorana zero modes in vortex cores

Here, we demonstrate the successful simulation of $\sqrt{𝑍-}$, $\sqrt{𝑋-}$, and 𝑋-quantum gates using Majorana zero modes (MZMs) that emerge in magnetic vortices located in topological superconductors. We compute the transition probabilities and geometric phase differences accounting for the full many-body dynamics and show that qubit states can be read out by fusing the vortex core MZMs and measuring the resulting charge density. We visualize the gate processes using the time- and energy-dependent nonequilibrium local density of states. Our results demonstrate the feasibility of employing vortex core MZMs for the realization of fault-tolerant topological quantum computing.

Majorana bound states↗
DOE OSTI2024

Palladium at high pressure and high temperature: A combined experimental and theoretical study

Palladium is one of the most important technological materials, yet its phase diagram remains poorly understood. At ambient conditions, its solid phase is face-centered cubic (fcc). However, another solid phase of Pd, body-centered cubic (bcc), was very recently predicted in two independent theoretical studies to occur at high pressures and temperatures. In this work, we report an experimental study on the room-temperature equation of state (EOS) of Pd to a pressure of 80 GPa, as well as a theoretical study on the phase diagram of Pd including both fcc-Pd and bcc-Pd. Our theoretical approach consists in ab initio quantum molecular dynamics (QMD) simulations based on the Z methodology which combines both direct Z method for the simulation of melting curves and inverse Z method for the calculation of solid–solid phase transition boundaries. We obtain the melting curves of both fcc-Pd and bcc-Pd and an equation for the fcc–bcc solid–solid phase transition boundary as well as the thermal EOS of Pd which is in agreement with experimental data and QMD simulations. We uncover the presence of another solid phase of Pd on its phase diagram, namely, random hexagonal close-packed (rhcp), and estimate the location of the rhcp-bcc solid–solid phase transition boundary and the rhcp–fcc–bcc triple point. We also discuss the topological similarity of the phase diagrams of palladium and silver, the neighbor of Pd in the periodic table. We argue that Pd is a reliable standard for shock-compression studies and present the analytic model of its principal Hugoniot in a wide pressure range.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Palladium at high pressure and high temperature: A combined experimental and theoretical study

Palladium is one of the most important technological materials, yet its phase diagram remains poorly understood. At ambient conditions, its solid phase is face-centered cubic (fcc). However, another solid phase of Pd, body-centered cubic (bcc), was very recently predicted in two independent theoretical studies to occur at high pressures and temperatures. In this work, we report an experimental study on the room-temperature equation of state (EOS) of Pd to a pressure of 80 GPa, as well as a theoretical study on the phase diagram of Pd including both fcc-Pd and bcc-Pd. Our theoretical approach consists in ab initio quantum molecular dynamics (QMD) simulations based on the Z methodology which combines both direct Z method for the simulation of melting curves and inverse Z method for the calculation of solid–solid phase transition boundaries. We obtain the melting curves of both fcc-Pd and bcc-Pd and an equation for the fcc–bcc solid– solid phase transition boundary as well as the thermal EOS of Pd which is in agreement with experimental data and QMD simulations. We uncover the presence of another solid phase of Pd on its phase diagram, namely, random hexagonal close-packed (rhcp), and estimate the location of the rhcp-bcc solid–solid phase transition boundary and the rhcp–fcc–bcc triple point. We also discuss the topological similarity of the phase diagrams of palladium and silver, the neighbor of Pd in the periodic table. We argue that Pd is a reliable standard for shock-compression studies and present the analytic model of its principal Hugoniot in a wide pressure range.

36 MATERIALS SCIENCE↗
DOE OSTI2022

GUTs, hybrid topological defects, and gravitational waves

The symmetry breaking of grand unified gauge groups in the early Universe often leaves behind relic topological defects such as cosmic strings, domain walls, or monopoles. For some symmetry breaking chains, hybrid defects can form where cosmic strings attach to domain walls or monopoles attach to strings. In general, such hybrid defects are unstable, with one defect "eating" the other via the conversion of its rest mass into the other's kinetic energy and, subsequently, decaying via gravitational waves. In this work, we determine the gravitational wave spectrum from 1) the destruction of a cosmic string network by the nucleation of monopoles which cut up and "eat" the strings, 2) the collapse and decay of a monopole-string network by strings that eat the monopoles, 3) the destruction of a domain wall network by the nucleation of string-bounded holes on the wall that expand and eat the wall, and 4) the collapse and decay of a string-bounded wall network by walls that eat the strings. We call the gravitational wave signals produced from the eating of one topological defect by another "gravitational wave gastronomy." We find that the four gravitational wave gastronomy signals considered yield unique spectra that can be used to narrow down the SO (10) symmetry breaking chain to the Standard Model and the scales of symmetry breaking associated with the consumed topological defects. Moreover, the systems we consider are unlikely to have a residual monopole or domain wall problem.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Frustrated Kondo impurity triangle: A simple model of deconfinement

We report that the concepts of deconfinement and topological order are of great current interest for quantum information science and for our understanding of quantum materials. Here, we introduce a simple model of three antiferromagnetically coupled Kondo impurities, a Kondo triangle, which can be used to further extend the application of these concepts to electronic systems. We show that, by tuning the magnetic frustration, the Kondo triangle undergoes a quantum phase transition between two phases of unbroken symmetry, signaling a phase transition beyond the Landau paradigm. We demonstrate that the frustrated spin liquid phase is described by a three-channel Kondo (3CK) fixed point and thus displays an irrational ground state degeneracy. Using an Abrikosov pseudofermion representation, this quantum state is categorized by an emergent U(1) gauge field and its projective symmetry group. The gauge theory is deconfining in the sense that a miniature Wilson loop orders and topological defects (instantons in the gauge field) are expelled. This phase persists in the presence of moderate Kondo screening until proliferation of topological defects leads to a quantum phase transition to an unfrustrated Fermi liquid phase. Based on this evidence, we propose that the 3CK phase displays topological order in a similar sense as gapless spin liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Signatures of a magnetic-field-induced Lifshitz transition in the ultra-quantum limit of the topological semimetal ZrTe 5

The quantum limit (QL) of an electron liquid, realised at strong magnetic fields, has long been proposed to host a wealth of strongly correlated states of matter. Electronic states in the QL are, for example, quasi-one dimensional (1D), which implies perfectly nested Fermi surfaces prone to instabilities. Whereas the QL typically requires unreachably strong magnetic fields, the topological semimetal ZrTe 5 has been shown to reach the QL at fields of only a few Tesla. Here, we characterize the QL of ZrTe 5 at fields up to 64 T by a combination of electrical-transport and ultrasound measurements. We find that the Zeeman effect in ZrTe 5 enables an efficient tuning of the 1D Landau band structure with magnetic field. This results in a Lifshitz transition to a 1D Weyl regime in which perfect charge neutrality can be achieved. Since no instability-driven phase transitions destabilise the 1D electron liquid for the investigated field strengths and temperatures, our analysis establishes ZrTe 5 as a thoroughly understood platform for potentially inducing more exotic interaction-driven phases at lower temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Coherent Many-Body Oscillations Induced by a Superposition of Broken Symmetry States in the Wake of a Quantum Phase Transition

It is now widely accepted that quenches through the critical region of quantum phase transitions result in post-transition states populated with topological defects—analogs of the classical topological defects. However, consequences of the very nonclassical fact that the state after a quench is a superposition of distinct, broken-symmetry vacua with different numbers and locations of defects have remained largely unexplored. Here, we identify coherent quantum oscillations induced by such superpositions in observables complementary to the one involved in symmetry breaking. These oscillations satisfy Kibble-Zurek dynamical scaling laws with the quench rate, with an instantaneous oscillation frequency set primarily by the gap of the system. In addition to the obvious fundamental significance of a superposition of different broken symmetry states, quantum coherent oscillations can be used to verify unitarity and test for imperfections of the experimental implementations of quantum simulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Effect of Fermi surface topology change on the Kagome superconductor CeRu 2 under pressure

The cubic Laves phase compound CeRu 2 with a Kagome substructure of Ru has been investigated to understand myriad fascinating phenomena resulting from competition among its various physical and geometric features. Such phenomena include flat bands, van Hove singularities, Dirac cones, reentrant superconductivity, magnetism, the Fulde–Ferrell–Larkin–Ovchinnikov state, valence fluctuations, time-irreversible anisotropic s-state superconductivity, etc. Extensive studies have thus been carried out since 1958 when the highly unusual coexistence of superconductivity and ferromagnetism was proposed for the mixed compounds (Ce,Gd)Ru 2 . Activity has accelerated in recent years due to increasing interest in topological states in superconductors. However, there has been little investigation of the mutual influence of these fascinating states. Therefore, we systematically investigated the superconductivity and possible Fermi surface topological change in CeRu 2 via magnetic, resistivity, and structural measurements under pressure up to ~168 GPa. An unusual phase diagram that suggests an intriguing interplay between the compound’s superconducting order and Fermi surface topological order has been constructed. A resurgence in its superconducting transition temperature was observed above 28 GPa. Our experiments have identified a structural transition above 76 GPa and a few tantalizing phase transitions driven by high pressure. Our high-pressure results further suggest that superconductivity and Fermi surface topology in CeRu 2 are strongly intertwined.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The Effect of Topology on Phase Behavior under Confinement

This work studies how morphology (i.e., the shape of a structure) and topology (i.e., how different structures are connected) influence wall adsorption and capillary condensation under tight confinement. Numerical simulations based on classical density functional theory (cDFT) are run for a wide variety of geometries using both hard-sphere and Lennard-Jones fluids. These cDFT computations are compared to results obtained using the Minkowski functionals. It is found that the Minkowski functionals can provide a good description of the behavior of Lennard-Jones fluids down to small system sizes. In addition, through decomposition of the free energy, the Minkowski functionals provide a good framework to better understand what are the dominant contributions to the phase behavior of a system. Lastly, while studying the phase envelope shift as a function of the Minkowski functionals it is found that topology has a different effect depending on whether the phase transition under consideration is a continuous or a discrete (first-order) transition.

42 ENGINEERING↗
DOE OSTI2022

Incommensurate magnetic orders and topological Hall effect in the square-net centrosymmetric EuGa 2 Al 2 system

Neutron diffraction on the centrosymmetric square-net magnet EuGa 2 Al 2 reveals multiple incommensurate magnetic states (AFM1, 2, 3) in zero field. In applied field, a new magnetic phase (A) is identified from magnetization and transport measurements, bounded by two of the μ 0 H=0 incommensurate magnetic phases (AFM1, helical, and AFM3, cycloidal) with different moment orientations. Moreover, magnetotransport measurements indicate the presence of a topological Hall effect, with maximum values centered in the A phase. Together, these results render EuGa 2 Al 2 a material with noncoplanar or topological spin texture in applied field. X-ray diffraction reveals an out-of-plane (OOP) charge density wave (CDW) below T CDW ~50 K while the magnetic propagation vector lies in plane below T N =19.5 K. Together these data point to a new route to realizing in-plane noncollinear spin textures through an OOP CDW. In turn, these noncollinear spin textures may be unstable against the formation of topological spin textures in an applied field.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Integrable model of topological SO(5) superfluidity

Assisted by general symmetry arguments and a many-body invariant, we introduce a phase of matter that constitutes a topological SO(5) superfluid. Key to this finding is the realization of an exactly solvable model that displays some similarities with a minimal model of superfluid 3 He. We study its quantum phase diagram and correlations, and find exotic superfluid as well as metallic phases in the repulsive sector. At the critical point separating trivial and nontrivial superfluid phases, our Hamiltonian reduces to the globally SO(5)-symmetric Gaudin model with a degenerate ground manifold that includes quartet states. Most importantly, the exact solution permits uncovering of an interesting non-pair-breaking mechanism for superfluids subject to external magnetic fields. Furthermore, nonintegrable modifications of our model lead to a strong-coupling limit of our metallic phase with a ground-state manifold that shows an extensive entropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

Transition and mixing in impulsively started jets and vortex rings

A new method is used to analyze transition in impulsively started jets and vortex rings. The method uses similarity variables to reduce the equations for unsteady particle paths to a quasi-autonomous system with the Reynolds number as a parameter. The flow pattern is represented in terms of the phase portrait of this system and the structure of the flow is defined by its critical points. Flow transition is examined in terms of bifurcations in the topology of the phase portrait which occur as the Reynolds number is increased. There is no assumption that the flow is parallel or that it is subjected to small disturbances. The method of analysis, through straightforward, is new and lies outside the usual small disturbance theory used to determine the stability of various profile shapes.

Cantwell, B. J.↗
DOE OSTI2025

Diverse magnetic phase diagram and anomalous Hall effect in antiferromagnetic LuMn 6⁢ Sn 6

The interactions between conduction electrons and magnetism can significantly enhance the Hall signal, a phenomenon known as the anomalous Hall effect (AHE). While the AHE is generally not expected in antiferromagnets, a large AHE is observed in certain antiferromagnets with noncollinear spin textures and nonvanishing Berry curvature. In this work, we present a rich temperature and magnetic phase diagram with eight distinct magnetic phases for the antiferromagnetic kagome compound LuMn 6 Sn 6 . The Hall effect analysis in LuMn 6 Sn 6 reveals both intriguing physical phenomena and methodological challenges. In the coplanar canted antiferromagnetic phase, we observe an AHE, which likely originates from the intrinsic effects. At low temperatures, upon entering the ferromagnetic phase, the AHE sharply increases and exceeds the conventional limits expected from intrinsic mechanisms. We also demonstrate the limitations of standard experimental methods in extracting the topological contribution to the Hall effect data. In particular, we show that accounting for magnetoresistance anisotropy helps reduce spurious contribution that can mimic topological Hall signals, although it does not fully resolve it. Furthermore, these shortcomings in current approaches in partitioning the Hall response necessitate new tools to interpret transport results in complex magnetic materials such as LuMn 6 Sn 6 .

Anomalous Hall effect↗
DOE OSTI2026

Compositional Tuning of Magnetic Properties in a Series of Transition Metal Site-Deficient UCo x Bi 2 and UNi x Bi 2 Phases

Varying the electronic structure of topological materials through aliovalent substitution is a primary approach to tuning their physical properties. Unlike substitution, metal site deficiency intrinsic to some structure types, including HfCuSi 2 -type, has rarely been employed for controlling the properties of topological phases. In this report, we describe the synthesis and characterization of two new series of compounds, UCoxBi 2 and UNixBi 2 , which demonstrate the variation of transition metal content through synthetic conditions. Magnetic measurements reveal the dependence between the extent of transition metal incorporation and the magnetism of the resulting phase. DFT calculations demonstrated the ability to model their formation and predict the stability ranges of transition metal-site deficient compounds.

Crystal structure↗
DOE OSTI2022

Probing the mesoscopic size limit of quantum anomalous Hall insulators

The inelastic scattering length (L s ) is a length scale of fundamental importance in condensed matters due to the relationship between inelastic scattering and quantum dephasing. In quantum anomalous Hall (QAH) materials, the mesoscopic length scale L s plays an instrumental role in determining transport properties. Here we examine L s in three regimes of the QAH system with distinct transport behaviors: the QAH, quantum critical, and insulating regimes. Although the resistance changes by five orders of magnitude when tuning between these distinct electronic phases, scaling analyses indicate a universal L s among all regimes. Finally, mesoscopic scaled devices with sizes on the order of L s were fabricated, enabling the direct detection of the value of L s in QAH samples. Our results unveil the fundamental length scale that governs the transport behavior of QAH materials.

42 ENGINEERING↗