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Results for “Bulk Matter Phenomena”

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 19 records

Collectivity in ultra-peripheral heavy-ion collisions

We present full (3+1 )D dynamical simulations to study collective behavior in ultra-peripheral nucleus-nucleus collisions (UPC) at the Large Hadron Collider (LHC) with the 3DGlauber+MUSIC+UrQMD framework [1, 2]. By extrapolating from asymmetric p+Pb collisions, we simulate a quasi-real photon γ* interacting with the Pb nucleus in an ultra-peripheral collision at the LHC, assuming strong final-state effects. We study the elliptic flow hierarchy between p+Pb and γ*+Pb collisions, which is dominated by the difference in longitudinal flow decorrelations. Our theoretical framework provides a quantitative tool to study collectivity in small asymmetric collision systems at current and future collider experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Less Common Topological Phenomena in Bulk Materials

"Prediction and subsequent discovery of topological insulators is considered to be one of the main results in condensed matter physics in the last decades. Not surprisingly, it has received major attention of both researchers and funding agencies. This attention is well-deserved; yet, one cannot but note that nearly all this research revolves about essentially the same concept: electronic excitations with linear dispersion, covering, of course, such diverse and intriguing phenomena as topological insulator, bulk Dirac states (or Weyl, if not spin degenerate), Mayorana fermions. In this project, we will address, mainly, other topological phenomena, such as topologically nontrivial magnetic patterns (as, for instance, topological Hall and related phenomena). Specifically, we propose three interrelated trusts: (1) Time-reversal symmetry breaking nonrelativistic antiferromagnets, called altermagnets. These are materials that break Kramers degeneracy of electronic bands, despite having zero net magnetization by symmetry and being fully collinear, and not necessarily non-centrosymmetric. The corresponding band structure is very similar to the band structure in non-centrosymmetric spin-orbital materials, but materials that we propose to study are distinctly different, first and foremost in the sense that despite sharing many aspects of their electronic properties with the latter, they break the time-reversal symmetry without either spin-orbit coupling or lack of inversion symmetry. (2) Topologically nontrivial magnetic spirals. The PI has been engaged with the experimental group of Dr. Ghimire at GMU investigating Dirac materials with helical magnetism, based on stacked magnetic Kagome layers, with a generic formula of RMn6Sn6. In particular, Y Mn6Sn6 demonstrates a component of the Hall effect that is naturally interpreted in terms of a topological spin texture, as well as linear magnetoresistance. Our calculation identify Dirac states that are robust with respect to the spiral formation, and let us derive an advance mean-field model explaining the observed phase diagram. This model predicted four distinct phases, with very distinct properties, which have now been seen in neutron experiments. The same compound is known to demonstrate topological Hall effect in a particular magnetic phase, and only at elevated temperature. Based on our understanding of the phase diagram, we have worked out a phenomenological theory of a chiral (skyrmionic) response to an external magnetic field, similar to the nematic response to external strain in Fe-based superconductors, which is possible in a centrosymmetric lattice and without interplanar Dzyaloshinskii-Moriya interaction. This phenomenological theory agrees quantitatively with the experiment. It is in our plans to research other similar materials for this effect. (3) Search for 3D analogues of Fe-based superconductors. We want to investigate materials that can be viewed as 3D analogues of FeSe. Specifically, we want materials that are good metals and host antiferromagnetism, which can be suppressed by pressure and generate an s-wave superconductivity, as in Fe-based superconductors. We have in mind some candidates already. This work will proceed in close collaboration with the experimental group of Prof. Nirmal Ghimire in the same department, whose expertise lies in sample making, magnetometry and transport measurements of materials with complex magnetic structures."

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Photo-induced non-collinear interlayer RKKY coupling in bulk Rashba semiconductors

Abstract The interplay between light-matter, spin-orbit, and magnetic interactions allows the investigation of light-induced magnetic phenomena that are otherwise absent without irradiation. We present our analysis of light-driven effects on the interlayer exchange coupling mediated by a bulk Rashba semiconductor in a magnetic multilayer. The collinear magnetic exchange coupling mediated by the photon-dressed spin-orbit coupled electrons of BiTeI develops light-induced oscillation periods and displays new decay power laws, both of which are enhanced with an increasing light-matter coupling. For magnetic layers with non-collinear magnetization, we find a non-collinear magnetic exchange coupling uniquely generated by light-driving of the multilayer. As the non-collinear magnetic exchange coupling mediated by the photon-dressed electrons of BiTeI is unique to the irradiated system and it is enhanced with increasing light-matter coupling, this effect offers a promising platform of investigation of light-driven effects on magnetic phenomena in spin-orbit coupled systems. In this platform, light properties, such as its intensity, can serve as external knobs for inducing non-collinear couplings of the interlayer exchange and for modulating the collinear couplings. Both of these effects signify the photo-generated modification in the spin textures of spin-orbit coupled electrons in BiTeI.

Physics↗

Coexistence of Bulk-Nodal and Surface-Nodeless Cooper Pairings in a Superconducting Dirac Semimetal

The interplay of nontrivial topology and superconductivity in condensed matter physics gives rise to exotic phenomena. However, materials are extremely rare where it is possible to explore the full details of the superconducting pairing. Here, we investigate the momentum dependence of the superconducting gap distribution in a novel Dirac material PdTe. Using high resolution, low temperature photoemission spectroscopy, we establish it as a spin-orbit coupled Dirac semimetal with the topological Fermi arc crossing the Fermi level on the (010) surface. This spin-textured surface state exhibits a fully gapped superconducting Cooper pairing structure below $T_{c}$ ~ 4.5 K. Moreover, we find a node in the bulk near the Brillouin zone boundary, away from the topological Fermi arc. In conclusion, these observations not only demonstrate the band resolved electronic correlation between topological Fermi arc states and the way it induces Cooper pairing in PdTe, but also provide a rare case where surface and bulk states host a coexistence of nodeless and nodal gap structures enforced by spin-orbit coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A computational approach to complex junctions and interfaces

Molecular- and nano- junctions, surfaces, interfaces, and interfacial processes have been the subjects of this DOE supported program for about 20 years. We have investigated electronic and magnetic structure, spin-dependent charge transport, and emerging phenomena at surfaces and interfaces in a number of physical systems ranging from nano-clusters, to nanowires, to two-dimensional (2D) crystals and their interactions, to bulk matter. Eighty-four refereed papers were published [1-84], with a majority effort from the group led by the PI, and over a hundred presentations were made at international conferences. We use first-principles methods in the framework of density functional theory in conjunction with nano-equilibrium Green function techniques, semi-empirical Boltzmann transport theory, tight-binding models, and the Hubbard model and many-body wavefunction approaches. In pursuing our scientific goals, we have also developed a number of computational algorithms and computational packages.

2D materials↗

Carbon Kagome nanotubes—quasi-one-dimensional nanostructures with flat bands

In recent years, a number of bulk materials and heterostructures have been explored due their connections with exotic materials phenomena emanating from flat band physics and strong electronic correlation. The possibility of realizing such fascinating material properties in simple realistic nanostructures is particularly exciting, especially as the investigation of exotic states of electronic matter in wire-like geometries is relatively unexplored in the literature. Motivated by these considerations, we introduce in this work carbon Kagome nanotubes (CKNTs)—a new allotrope of carbon formed by rolling up Kagome graphene, and investigate this material using specialized first principles calculations. We identify two principal varieties of CKNTs—armchair and zigzag, and find both varieties to be stable at room temperature, based on ab initio molecular dynamics simulations. CKNTs are metallic and feature dispersionless states (i.e., flat bands) near the Fermi level throughout their Brillouin zone, along with an associated singular peak in the electronic density of states. We calculate the mechanical and electronic response of CKNTs to torsional and axial strains, and show that CKNTs appear to be more mechanically compliant than conventional carbon nanotubes (CNTs). Additionally, we find that the electronic properties of CKNTs undergo significant electronic transitions—with emergent partial flat bands and tilted Dirac points—when twisted. We develop a relatively simple tight-binding model that can explain many of these electronic features. We also discuss possible routes for the synthesis of CKNTs. Overall, CKNTs appear to be unique and striking examples of realistic elemental quasi-one-dimensional materials that may display fascinating material properties due to strong electronic correlation. Distorted CKNTs may provide an interesting nanomaterial platform where flat band physics and chirality induced anomalous transport effects may be studied together.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Observation of a linked-loop quantum state in a topological magnet

Quantum phases can be classified by topological invariants, which take on discrete values capturing global information about the quantum state. Over the past decades, these invariants have come to play a central role in describing matter, providing the foundation for understanding superfluids, magnets, the quantum Hall effect, topological insulators, Weyl semimetals and other phenomena. Here we report an unusual linking-number (knot theory) invariant associated with loops of electronic band crossings in a mirror-symmetric ferromagnet. Using state-of-the-art spectroscopic methods, we directly observe three intertwined degeneracy loops in the material's three-torus, T 3 , bulk Brillouin zone. We find that each loop links each other loop twice. Through systematic spectroscopic investigation of this linked-loop quantum state, we explicitly draw its link diagram and conclude, in analogy with knot theory, that it exhibits the linking number (2, 2, 2), providing a direct determination of the invariant structure from the experimental data. Here we further predict and observe, on the surface of our samples, Seifert boundary states protected by the bulk linked loops, suggestive of a remarkable Seifert bulk-boundary correspondence. Our observation of a quantum loop link motivates the application of knot theory to the exploration of magnetic and superconducting quantum matter.

36 MATERIALS SCIENCE↗

Weyl, Dirac and high-fold chiral fermions in topological quantum matter

Quantum materials hosting Weyl fermions have opened a new era of research in condensed matter physics. First proposed in 1929 in the context of particle physics, Weyl fermions have yet to be observed as elementary particles. In 2015, Weyl fermions were detected as collective electronic excitations in the strong spin–orbit coupled material tantalum arsenide, TaAs. This discovery was followed by a flurry of experimental and theoretical explorations of Weyl phenomena in materials. Weyl materials naturally lend themselves to the exploration of the topological index associated with Weyl fermions and their divergent Berry curvature field, as well as the topological bulk–boundary correspondence, giving rise to protected conducting surface states. Here, we review the broader class of Weyl topological phenomena in materials, starting with the observation of emergent Weyl fermions in the bulk and Fermi arc states on the surface of the TaAs family of crystals by photoemission spectroscopy. We then discuss several exotic optical and magnetic responses observed in these materials, as well as progress in developing related chiral materials. We discuss the conceptual development of high-fold chiral fermions, which generalize Weyl fermions, and we review the observation of high-fold chiral fermion phases by taking the rhodium silicide, RhSi, family of crystals as a prime example. Lastly, we discuss recent advances in Weyl line phases in magnetic topological materials. With this Review, we aim to provide an introduction to the basic concepts underlying Weyl physics in condensed matter, and to representative materials and their electronic structures and topology as revealed by spectroscopic studies. Finally, we hope this work serves as a guide for future theoretical and experimental explorations of chiral fermions and related topological quantum systems with potentially enhanced functionalities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Realizing gapped surface states in the magnetic topological insulator Mn Bi 2 - x Sb x Te 4

The interplay between magnetism and nontrivial topology in magnetic topological insulators (MTIs) is expected to give rise to exotic topological quantum phenomena like the quantum anomalous Hall effect and the topological axion states. A key to assessing these novel properties is to realize gapped topological surface sates. MnBi 2 Te 4 possesses nontrivial band topology with an intrinsic antiferromagnetic state. However, the highly electron-doped nature of the MnBi 2 Te 4 crystals obstructs the exhibition of the surface band gap. Here, we tailor the material through Sb substitution to reveal the gapped surface states in MnBi 2-x Sb x Te 4 . By shifting the Fermi level into the bulk band gap, we access the surface states and show a band gap of 50 meV at the Dirac point from quasiparticle interference measured by scanning tunneling microscopy (STM). Surface-dominant conduction is confirmed through transport spectroscopy measured by multiprobe STM below the Néel temperature. The surface band gap is robust against the out-of-plane magnetic field despite the promotion of field-induced ferromagnetism. Finally, the realization of bulk-insulating MTIs with the large exchange gap offers a promising platform for exploring emergent topological phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Possible topological superconductivity in the topological crystalline insulator $\mathrm{(Pb_{1-x} Sn_x)_{1-y}In_yTe}$

Superconductivity in topological insulators is expected to show very unconventional features such as a $p+ip$ order parameter, Majorana fermions, etc. However, intrinsic superconductivity has been observed in a very limited number of materials in which the pairing symmetry is still a matter of debate. Here, we study the topological crystalline insulator (TCI) $\mathrm{(Pb_{1-x} Sn_x)_{1-y}In_yTe}$, for which a peculiar insulator to superconductor transition was previously reported near the gap inversion transition, where the system is nearly a three-dimensional Dirac semimetal. Both the existence of superconductivity near the three-dimensional Dirac semimetal and the occurrence of an insulator to superconductor transition in an isotropic material are highly unusual. We suggest that the observed phenomena are related to the intrinsic instability of a three-dimensional Dirac semimetal state in $\mathrm{(Pb_{1-x} Sn_x)_{1-y}In_yTe}$ and “flattening” of the bulk valence and conduction bands as they acquire a Mexican-hat-like dispersion on the inverted side of the phase diagram. Importantly, this favors the pairing instability if the chemical potential is pinned to these flat regions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Anomalous superconducting diode effect in a polar superconductor

A superconductor with broken time-reversal and inversion symmetry may exhibit nonreciprocal charge transport, including a nonreciprocal critical current, also known as superconducting diode effect. Here, we report an intrinsic superconducting diode effect in a polar strontium titanate film. Differential resistance measurements reveal a superconducting state whose depairing current is polarity dependent. There is, however, no measurable deviation from Ohmic behavior, implying that this state does not arise from a bulk magnetochiral anisotropy. In the entire measurement range, the only deviation from linearity in the differential resistance is on the edge of the superconducting transition at high magnetic fields, likely due to the motion of flux vortices. Furthermore, the magnitude of the effect is preserved even when the in-plane magnetic field is oriented parallel to the current, indicating that this effect truly does not originate from a bulk magnetochiral anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Detecting axion dynamics on the surface of magnetic topological insulators

Axions, initially proposed to solve the strong CP problem, have recently gained attention in condensed matter physics, particularly in topological insulators. However, detecting axion dynamics has proven challenging, with no experimental confirmations to date. In this paper, we identify the surface of magnetic topological insulators as an ideal platform for observing axion dynamics. The vanishing bulk gap at the surface allows for order O(1) variations in the axion field, making the detection of axionlike phenomena more feasible. In contrast, these phenomena are strongly suppressed in the bulk due to the small magnetic exchange gap. We investigate two-photon decay as a signature of axion dynamics and calculate the branching ratio using a perturbative approach. Our findings reveal that the photon flux emitted from the surface is in plane and orders of magnitude larger than that from the bulk, making it detectable with modern microwave technology. We also discuss potential material platforms for detecting axion two-photon decay and strategies to enhance the signal-to-noise ratio.

Gao, Zhi-Qiang↗

Bulk flow and correlation measurements at LHCb

Particle correlations are a powerful tool to study the properties of the bulk nuclear matter produced in relativistic heavy ion collisions. The momentum correlations between identical particles originating from the same particle-emitting source, referred to as the Bose-Einstein correlations, measure scales that are related to the geometrical size of the source. The two-particle azimuthal angular correlations measure the spatial anisotropy of produced particles, providing information on collective phenomena arising in the dense nuclear medium. This contribution will discuss new LHCb measurements of Bose- Einstein correlations and, for the first time, the collective flow coefficients in the far forward rapidity region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Mechanical theory of nonequilibrium coexistence and motility-induced phase separation

Nonequilibrium phase transitions are routinely observed in both natural and synthetic systems. The ubiquity of these transitions highlights the conspicuous absence of a general theory of phase coexistence that is broadly applicable to both nonequilibrium and equilibrium systems. Here, in this study, we present a general mechanical theory for phase separation rooted in ideas explored nearly a half-century ago in the study of inhomogeneous fluids. The core idea is that the mechanical forces within the interface separating two coexisting phases uniquely determine coexistence criteria, regardless of whether a system is in equilibrium or not. We demonstrate the power and utility of this theory by applying it to active Brownian particles, predicting a quantitative phase diagram for motility-induced phase separation in both two and three dimensions. This formulation additionally allows for the prediction of novel interfacial phenomena, such as an increasing interface width while moving deeper into the two-phase region, a uniquely nonequilibrium effect confirmed by computer simulations. The self-consistent determination of bulk phase behavior and interfacial phenomena offered by this mechanical perspective provide a concrete path forward toward a general theory for nonequilibrium phase transitions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Transient superconductivity at nano- and meso-scales

High-T c superconductivity is surpassed by few, if any, other unsolved problems in contemporary physics in terms of its richness, complexity, impact on other fields, and potential technological importance in energy applications. Recent discoveries reveal that the highest transition temperatures emerge under extraordinary experimental conditions such as the strong perturbation of a single atomic layer material by the underlying substrate, application of ~200 GPa pressure or ~MV/cm static electric fields, or irradiation by intense femtosecond optical fields. Research in superconductivity under extreme experimental conditions is challenging and requires the development of novel experimental methods and new theoretical tools suitable to tackle the problem. Our team has approached the challenges of transient superconductivity under intense optical fields by rethinking the types of experimental observables that are best suited to elucidate the physics of light-induced effects. This exercise has identified the need for: i) ultra-fast spatio-temporal probes enabling access to plasmonic properties and also nano-scale inhomogeneities that are ubiquitous in unconventional superconductors; ii) meso-scale structures and hybrid meta-surfaces imperative for strong enhancement of optical fields and iii) theoretical approaches suitable to explain and predict the response of superconductors under ultra-fast photo-excitation. Co-PIs have already made major advances with developing capabilities i)-iii). Therefore, our team is poised to make significant progress in transient superconductivity by exploring novel spatio-temporal effects that currently remain unattainable. Co-investigators will search for light-induced superconductivity in the high-T c cuprates to build upon spectacular recent results still lacking independent confirmations. Novel data acquisition methods combined with nano-plasmonic imaging will allow our team to test the hypothesis of photo-induced superconducting pairing. Spatio-temporal experiments will provide insights into the interplay between superconductivity and competing orders in the cuprates. Co-PIs will also investigate strong light-matter interaction and superconductivity in FeSe monolayers. Finally, we will study spatio-temporal electrodynamics of planar Josephson junctions. This latter direction will allow our team to thoroughly characterize one of the most fundamental examples of inhomogeneity in all of unconventional superconductivity. The proposed experiments in combination with theoretical analysis will provide information that is difficult to obtain using alternative methods. Basov and Averitt will carry out pump-probe spectroscopy and nano-imaging experiments. Averitt and Hone will design and fabricate state-of-the-art meta-surfaces. Theoretical and computational studies of ultrafast transient phenomena will be carried out by Millis and Fogler. Modeling of time-resolved nano-optical effects will be done by Fogler. The bulk of the requested budget will be used to support graduate students at Columbia & UCSD that will be co-supervised by co-PIs. The proposed program is transformative, since it will enable an entire suite of experiments previously either impossible or technically implausible. It will deliver critically important insights not only into mechanisms of unconventional superconductivity but also to many other correlated quantum materials.

36 MATERIALS SCIENCE↗

Anomaly-induced edge currents in hydrodynamics with parity anomaly

Here in this paper, we discuss relativistic hydrodynamics for a massless Dirac fermion in (2 + 1) dimensions, which has the parity anomaly—a global ’t Hooft anomaly between U(1) and parity symmetries. We investigate how hydrodynamics implements the party anomaly, particularly focusing on the transport phenomena at the boundary. Based on the parity anomaly matching and the second law of local thermodynamics, we find U(1) and entropy currents localized at the boundary, as well as the bulk anomalous current with vanishing divergence. These edge currents are similar to the ( 1 + 1)-dimensional chiral transports, but the coefficients are given by half of theirs. We also generalize our discussion to more general anomalies among multiple U(1) symmetries and single $\mathbb{Z}_2$ symmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Chemical transformations and transport phenomena at interfaces

Abstract Interfaces, the boundary that separates two or more chemical compositions and/or phases of matter, alters basic chemical and physical properties including the thermodynamics of selectivity, transition states, and pathways of chemical reactions, nucleation events and phase growth, and kinetic barriers and mechanisms for mass transport and heat transport. While progress has been made in advancing more interface‐sensitive experimental approaches, their interpretation requires new theoretical methods and models that in turn can further elaborate on the microscopic physics that make interfacial chemistry so unique compared to the bulk phase. In this review, we describe some of the most recent theoretical efforts in modeling interfaces, and what has been learned about the transport and chemical transformations that occur at the air–liquid and solid–liquid interfaces. This article is categorized under: Structure and Mechanism > Reaction Mechanisms and Catalysis Structure and Mechanism > Computational Materials Science Software > Quantum Chemistry Software > Simulation Methods

Hao, Hongxia↗

Topological Fermi-arc surface state covered by floating electrons on a two-dimensional electride

Two-dimensional electrides can acquire topologically non-trivial phases due to intriguing interplay between the cationic atomic layers and anionic electron layers. However, experimental evidence of topological surface states has yet to be verified. Here, via angle-resolved photoemission spectroscopy (ARPES) and scanning tunnelling microscopy (STM), we probe the magnetic Weyl states of the ferromagnetic electride [Gd 2 C] 2+ ·2e - . In particular, the presence of Weyl cones and Fermi-arc states is demonstrated through photon energy-dependent ARPES measurements, agreeing with theoretical band structure calculations. Notably, the STM measurements reveal that the Fermi-arc states exist underneath a floating quantum electron liquid on the top Gd layer, forming double-stacked surface states in a heterostructure. Our work thus not only unveils the non-trivial topology of the [Gd 2 C] 2+ ·2e - electride but also realizes a surface heterostructure that can host phenomena distinct from the bulk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗