Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “condensation”

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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Superconductivity of incoherent electrons in the Yukawa Sachdev-Ye-Kitaev model

We study a model of N fermions in a quantum dot, coupled to M bosons by a disorder-induced complex Yukawa coupling [Yukawa Sachdev-Ye-Kitaev (SYK) model], in order to explore the interplay between non-Fermi liquid and superconductivity in a strongly coupled, (quantum-)critical environment. We analyze the phase diagram of the model for an arbitrary complex interaction and arbitrary ratio of N/M, with special focus on the two regimes of non-Fermi-liquid behavior: an SYK-like behavior with a power-law frequency dependence of the fermionic self-energy and an impuritylike behavior with frequency independent self-energy. We show that the crossover between the two can be reached by varying either the strength of the fermion-boson coupling or the ratio M/N. We next argue that in both regimes the system is unstable to superconductivity if the strength of time-reversal-symmetry-breaking disorder is below a certain threshold. We show how the corresponding onset temperatures vary between the two regimes. We argue that the superconducting state is highly unconventional with an infinite set of minima of the condensation energy at T = 0, corresponding to topologically different gap functions. We discuss in detail similarities and differences between this model and the model of dispersion-full fermions tuned to a metallic quantum-critical point, with an effective singular dynamical interaction V(Ω) ∝ 1/|Ω| γ (the γ model).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Efficient numerical method for evaluating normal and anomalous time-domain equilibrium Green's functions in inhomogeneous systems

In this work we develop EPOCH (equilibrium propagator by orthogonal polynomial chain), a computationally efficient method to calculate the time-dependent equilibrium Green's functions, including the anomalous Green's functions of superconductors, to capture the time evolution in large inhomogeneous systems. The EPOCH method generalizes the Chebyshev wave-packet propagation method from quantum chemistry and efficiently incorporates the Fermi-Dirac statistics that is needed for equilibrium quantum condensed matter systems. The computational cost of EPOCH scales only linearly in the system degrees of freedom, generating an extremely efficient algorithm also for very large systems. We demonstrate the power of the EPOCH method by calculating the time evolution of an excitation near a superconductor–normal metal interface in two and three dimensions, capturing transmission as well as normal and Andreev reflections.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Topological descendants of a multicritical Dirac semimetal with magnetism and strain

The past decades have witnessed a transformation in characterizing condensed matter systems with topology. Aided by a refined understanding of topological band structures with crystalline symmetries that has emerged recently, many electronic phases have been identified, and a plethora of materials have been predicted to host properties and functionalities. A key underlying question, also with respect to future application, is to what extent the related physical features can be manipulated, especially in the context of magnetic order. Here, we describe a paradigmatic semimetal that simultaneously incorporates multiple and sometimes conflicting topology which guarantees gaplessness and leads to an exceptionally rich family of descendent phases on lowering symmetry. We predict that this multicritical phase is realized in EuTl 2 . Starting from the parent semimetallic state, which already separates two topological insulating regimes, the interplay of inherent magnetism and strain allows for an exceptionally rich phase diagram of topological descendant states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Candidate structure for the H 2 -PRE phase of solid hydrogen

Experimental progress finally reached the metallic solid hydrogen phase, which was predicted by Wigner and Huntington over 80 years ago. However, the different structures in the phase diagram are still being debated due to the difficulty of diffraction experiments for high-pressured hydrogen. The determination of crystal structures under extreme condition is both of the basic condensed matter physics, and in planetary science: the behavior of giant gaseous planets (e.g., Jupiter and Saturn) strongly depends on the properties of inner high-pressured hydrogen. This work describes possible structures appearing under high pressures of 400~600 GPa. We applied a structural search using particle swarm optimization with density functional theory (DFT) to propose several candidate structures. For these structures, we performed fixed-node diffusion Monte Carlo simulations combined with DFT zero-point energy corrections to confirm their relative stability. We found P2 1 /c-8 as a promising candidate structure for the H 2 -PRE phase. P2 1 /c-8 is predicted the most stable at 400 and 500 GPa. P2 1 /c-8 reproduces qualitatively the IR spectrum peaks observed in the H 2 -PRE phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Theory of the charge density wave in A V 3 Sb 5 kagome metals

The family of metallic kagome compounds AV 3 Sb 5 (A = K, Rb, Cs) was recently discovered to exhibit both superconductivity and charge order. The nature of the charge density wave (CDW) phase is presently unsettled, which complicates the interpretation of the superconducting ground state. In this paper, we use group theory and density functional theory (DFT) to derive and solve a phenomenological Landau model for this CDW state. The DFT results reveal three unstable phonon modes with the same in-plane momentum but different out-of-plane momenta, whose frequencies depend strongly on the electronic temperature. This is indicative of an electronically driven CDW, stabilized by features of the in-plane electronic dispersion. Motivated by the DFT analysis, we construct a Landau free-energy expansion for coupled CDW order parameters with wave vectors at the M and L points of the hexagonal Brillouin zone. We find an unusual trilinear term coupling these different order parameters, which can promote the simultaneous condensation of both CDWs even if the two modes are not nearly degenerate. We classify the different types of coupled multi-Q CDW orders, focusing on those that break the sixfold rotational symmetry and lead to a unit-cell doubling along all three crystallographic directions, as suggested by experiments. Here, we determine a region in parameter space, characterized by large nonlinear Landau coefficients, where these phases—dubbed staggered trihexagonal and staggered Star of David—are the leading instabilities of the system. Finally, we discuss the implications of our results for the kagome metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Atom-in-jellium predictions of the shear modulus at high pressure

Atom-in-jellium calculations of the Einstein frequency in condensed matter and of the equation of state were used to predict the variation of shear modulus from zero pressure to ~10 7 g/cm 3 , for several elements relevant to white dwarf stars and other self-gravitating systems. This is by far the widest range reported electronic structure calculation of shear modulus, spanning from ambient through the one-component plasma to extreme relativistic conditions. The predictions were based on a relationship between the Debye temperature and shear modulus, which we assess to be accurate at the o(10%) level, and is the first known use of atom-in-jellium theory to calculate a shear modulus. Finally, we assessed the overall accuracy of the method by comparing with experimental measurements and more detailed electronic structure calculations at lower pressures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Distinguishing finite-momentum superconducting pairing states with two-electron photoemission spectroscopy

Here, we show theoretically that double photoemission (2e-ARPES) may be used to identify the pairing state in superconductors in which the Cooper pairs have a nonzero center-of-mass momentum, q cm . We theoretically evaluate the 2e-ARPES counting rate P (2) for the cases of a d x 2 -y 2 -wave superconductor, a pair-density-wave (PDW) phase, and a Fulde-Ferrel-Larkin-Ovchinnikov (FFLO) phase. We show that P (2) provides direct insight into the center-of-mass momentum and spin state of the superconducting condensate, and thus can distinguish between these three different superconducting pairing states. In addition, P (2) can be used to map out the momentum dependence of the superconducting order parameter. Our results identify 2e-ARPES as an ideal tool for identifying and probing q cm ≠ 0 superconducting pairing states in superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Separation of Kondo lattice coherence from crystal electric field in CeIn 3 with Nd substitutions

The Ce m M n In 3m+2n (m=1,2;n=0,1) family has been one of the most studied families of heavy fermion compounds. This family has revealed many interesting low-temperature physics phenomena, like quantum critical points, heavy fermion superconductivity, and non-Fermi liquid behavior, when these materials are exposed to pressure, magnetic fields, and/or chemical substitution. In this work, we provide a thorough investigation of the Ce 1-x Nd x In 3 phase diagram through single crystal synthesis, x-ray diffraction, energy-dispersive spectroscopy, magnetic susceptibility, and electrical resistivity measurements. Previous electrical resistivity measurements on CeIn 3 reveal a broad maximum, T max ~50 K, which has been associated with the Kondo lattice coherence crossover and/or the crystal electric field depopulation effect as the 4f electrons condense from the high-energy quartet down to the ground state doublet. Our findings show that in the most disordered substitution region, x=0.4–0.5, these features disjoin to reveal two distinct broad humps in electrical resistivity measurements. Magnetic susceptibility and electrical resistivity data on Ce 1-x Nd x In 3 also reveal the antiferromagnetic ordering competition between CeIn 3 and NdIn 3 , where the T N of CeIn 3 is linearly suppressed to a critical concentration of x Nd ~0.6. This concentration is slightly lower than what was previously reported in nonmagnetically substituted Ce 1-x La x In 3 . Our magnetic susceptibility measurements and subsequent simulations show that in the CeIn 3 antiferromagnetic regime, x Nd ≤0.4, the Nd ions act as free paramagnets. The large magnitude of the associated paramagnetic response then masks the overlapping antiferromagnetic ordering signature of the Ce ions. Overall our study further sheds light on the underlying crystal electric field and Kondo lattice coherence interactions within the Ce m M n In 3m+2n family and could stimulate further studies of these systems via neutron diffraction or under applied pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Thermal transport properties and some hydrodynamic-like behavior in three-dimensional topological semimetal $\mathrm{ZrTe}_5$

We report hydrodynamic fluidity in condensed matter physics has been experimentally demonstrated only in a limited number of compounds due to the stringent conditions that must be met. Herein, we performed thermal and electrical transport experiments in three-dimensional topological semimetal ZrTe 5 . By measuring the thermal properties in a wide temperature range, two representative experimental evidences of the hydrodynamics are observed in temperature window between the ballistic and diffusive regimes: a faster evolution of the thermal conductivity than in the ballistic regime and the non-monotonic temperature-dependent effective quasiparticle mean-free-path. In addition, magneto-thermal conductivity results indicate that charged quasiparticles, as well as phonons, may also play an important role in this hydrodynamic-like flow in ZrTe 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Multiband superconductivity in strongly hybridized 1 T ' - WTe 2 / NbSe 2 heterostructures

The interplay of topology and superconductivity has become a subject of intense research in condensed-matter physics for the pursuit of topologically nontrivial forms of superconducting pairing. An intrinsically normal-conducting material can inherit superconductivity via electrical contact to a parent superconductor via the proximity effect, usually understood as Andreev reflection at the interface between the distinct electronic structures of two separate conductors. However, at high interface transparency, strong coupling inevitably leads to changes in the band structure, locally, owing to hybridization of electronic states. Here, we investigate such strongly proximity-coupled heterostructures of monolayer $1T$' - $\mathrm{WTe_2}$ grown on NbSe 2 by van der Waals epitaxy. The superconducting local density of states, resolved in scanning tunneling spectroscopy down to 500 mK, reflects a hybrid electronic structure well described by a multiband framework based on the McMillan equations which captures the multiband superconductivity inherent to the NbSe 2 substrate and that is induced by proximity to $\mathrm{WTe_2}$ self-consistently. Our material-specific tight-binding model captures the hybridized heterostructure quantitatively and confirms that strong interlayer hopping gives rise to a semimetallic density of states in the two-dimensional $\mathrm{WTe_2}$ bulk, even for nominally band-insulating crystals. The model further accurately predicts the measured order parameter Δ ≅ 0.6 meV induced in the $\mathrm{WTe_2}$ monolayer bulk, stable beyond a 2 T magnetic field. So we believe that our detailed multiband analysis of the hybrid electronic structure provides a useful tool for sensitive spatial mapping of induced order parameters in proximitized atomically thin topological materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Piezosuperconductivity: Novel effects in noncentrosymmetric superconductors

Here we study effects in noncentrosymmetric superconductors arising from their unique coupling of Cooper-pair condensate and elasticity. We show that although the much discussed Lifshitz coupling is not observable in a uniform bulk state, it strikingly endows dislocations with a fractional magnetic flux. We also predict a generation of voltage-free strain by a DC current in a P- and T-breaking Josephson junction. Viewing superconductors through the lens of higher-form symmetries we identify the Lifshitz coupling as a chemical potential for the approximately conserved winding number, drawing an analogy with pyroelectric insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Role of Nematicity in Controlling Spin Fluctuations and Superconducting Tc in Bulk FeSe

FeSe undergoes a transition from a tetragonal to a slightly orthorhombic phase at 90 K and becomes a superconductor below 8 K. The orthorhombic phase is sometimes called a nematic phase because quantum oscillation, neutron, and other measurements detect a significant asymmetry in x and y. How nematicity affects superconductivity has recently become a matter of intense speculation. Here, we employ an advanced ab initio Green's function description of superconductivity and show that bulk tetragonal FeSe would, in principle, superconduct with almost the same critical temperature Tc as the nematic phase. The mechanism driving the observed nematicity is not yet understood. Since the present theory underestimates it, we simulate the full nematic asymmetry by artificially enhancing the orthorhombic distortion. For benchmarking, we compare theoretical spin susceptibilities against experimentally observed data over all energies and relevant momenta. When the orthorhombic distortion is adjusted to correlate with observed nematicity in spin susceptibility, the enhanced nematicity causes spectral weight redistribution in the Fe-3dxz and Fe-dyz orbitals, but it leads to at most a 10-15% increment in Tc. This is because the dxy orbital always remains the most strongly correlated and provides most of the source of the superconducting glue. Nematicity suppresses the density of states at the Fermi level; nevertheless, Tc increases, in contradiction to both BCS theory and the theory of Bose-Einstein condensation. We show how the increase is connected to the structure of the particle-particle vertex. Our results suggest that while nematicity may be an intrinsic property of bulk FeSe, it is not the primary force driving the superconducting pairing.

bulk FeSe↗
DOE OSTI2022

Multiple ferroic orders and toroidal magnetoelectricity in the chiral magnet BaCoSiO 4

Discovering ferroic phase transitions and their consequential physical properties is at the core of condensed matter science due to rich physics and tremendous technological promises. BaCoSiO 4 , a chiral antiferromagnet, belongs to the tetrahedron-based chiral system, and exhibits diverse ferroic orders with coexisting chirality, polarity, trimerization, ferrorotational distortions, and magnetism. However, their mutual couplings remain to be explored. Here in this work, we used a comprehensive combination of several experimental tools—in situ x-ray, transmission electron microscopy, magnetization, and magnetoelectric measurements of single-crystalline BaCoSiO 4 —to investigate hierarchical phase transitions, their microscopic domain structures, and the resulting magnetoelectricity. We found that two different structural chiralities develop through distinct processes: global homochirality and local heterochirality induced by the ferrorotational distortions on top of existing polarization. In addition, magnetic chirality, with the simultaneous presence of net magnetic moment and magnetic toroidal moment, develops below 3.2 K due to the global chirality, which leads to magnetic field tunable toroidal magnetoelectricity. Thus, BaCoSiO 4 exhibits uniquely all four types of ferroic orders and provides an avenue to explore, for example, tunable or dynamic coupling of multiple ferroic degrees of freedom.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hybrid Kohn-Sham+Thomas-Fermi scheme for high-temperature density functional theory

We report density functional theory has revolutionised our understanding of dense, strongly coupled systems in the condensed-matter limit. At elevated temperatures, such as those found in warm dense matter and dense plasma, the computational cost of calculating enough states to accurately describe a thermal ensemble of electrons is a major obstacle to practical Kohn-Sham calculations. This problem has recently been tackled from a number of approaches, including a plane-wave approximation for electrons at high energy. In this work, we demonstrate how the Thomas-Fermi density of states, equivalent to a local plane-wave approximation, can yield improved results for thermodynamic quantities, electron density profiles, and interatomic forces while requiring fewer states than existing methods.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Critical fields of superconductors with magnetic impurities

The upper critical field H c2 , the field H c3 for nucleation of the surface superconductivity, and the thermodynamic field H c are evaluated within the weak-coupling theory for the isotropic s-wave case with arbitrary transport, and pair-breaking scattering. In this study, we find that, for the standard geometry of a half-space sample in a magnetic field parallel to the surface, the ratio $\mathscr{R}$=H c3 /H c2 is within the window 1.55≲$\mathscr{R}$≲2.34 , regardless of temperature or the scattering type. While the nonmagnetic impurities tend to flatten the $\mathscr{R}$($\mathrm{T}$) variation, magnetic scattering merely shifts the maximum of $\mathscr{R}$($\mathrm{T}$) to lower temperatures. Surprisingly, while reducing the transition temperature, magnetic scattering has a milder impact on $\mathscr{R}$ than nonmagnetic scattering. The surface superconductivity is quite robust; in fact, the ratio $\mathscr{R}$≈1.7 even in the gapless state. We used Eilenberger's energy functional to evaluate the condensation energy F c and the thermodynamic critical field H c for any temperature and scattering parameters. By comparing H c2 and H c , we find that, unlike transport scattering, the pair-breaking pushes materials toward type-I behavior. Furthermore, we find a peculiar behavior of F c as a function of the pair-breaking scattering parameter at the low-$\mathrm{T}$ transition from gapped to gapless phases, which has recently been associated with the topological transition in the superconducting density of states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Proximity-induced collective modes in an unconventional superconductor heterostructure

Unconventional superconductors have been long sought for their potential applications in quantum technologies and devices. A key challenge impeding this effort is the difficulty associated with probing and characterizing candidate materials and establishing their order parameter. Here we present a platform that allows one to spectroscopically probe unconventional superconductivity in thin-layer materials via the proximity effect. Here we show that inducing an s-wave gap in a sample with an intrinsic d-wave instability leads to the formation of bound states of quasiparticle pairs, which manifest as a collective mode in the d-wave channel. This finding provides a way to study the underlying pairing interactions vicariously through the collective mode spectrum of the system. Upon further cooling of the system we observe that this mode softens considerably and may even condense, signaling the onset of time-reversal symmetry-breaking superconductivity. Therefore, our proposal also allows for the creation and study of these elusive unconventional states.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Magnetic field effects in an octupolar quantum spin liquid candidate

Quantum spin liquid (QSL) is a disordered state of quantum-mechanically entangled spins commonly arising from frustrated magnetic dipolar interactions. However, QSL in some pyrochlore magnets can also come from frustrated magnetic octupolar interactions. Although the key signature for both dipolar and octupolar interaction-driven QSL is the presence of a spin excitation continuum (spinons) arising from the spin quantum number fractionalization, an external magnetic field-induced ferromagnetic order will transform the spinons into conventional spin waves in a dipolar QSL. By contrast, in an octupole QSL, the spin waves carry octupole moments that do not couple, in the leading order, to an external magnetic field or to neutron moments but will contribute to the field dependence of the heat capacity. Here, in this study, we use neutron scattering to show that the application of a large external magnetic field to Ce 2 Zr 2 O 7 , an octupolar QSL candidate, induces an Anderson-Higgs transition by condensing the spinons into a static ferromagnetic ordered state with octupolar spin waves invisible to neutrons but contributing to the heat capacity. Our theoretical calculations also provide a microscopic, qualitative understanding for the presence of octupole scattering at large wave vectors in Ce 2 Sn 2 O 7 pyrochlore, and its absence in Ce 2 Zr 2 O 7 . Therefore, our results identify Ce 2 Zr 2 O 7 as a strong candidate for an octupolar U(1) QSL, establishing that frustrated magnetic octupolar interactions are responsible for QSL properties in Ce-based pyrochlore magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

X-ray diffraction measurements and pressure determination in nanosecond compression of solids up to 600 GPa

X-ray diffraction measurements under laser-driven dynamic compression now allow us to investigate the atomic structure of matter at TPa pressures and thousands of degree temperatures with broad implications for condensed matter physics, planetary science and astronomy. Furthermore, pressure determination in these experiments often relies on velocimetry measurements coupled with modeling that requires accurate knowledge of the optical and thermo-mechanical properties of a window material, resulting in significant systematic uncertainty. Here we demonstrate different approach applicable to X-ray diffraction experiments under quasi-isentropic ramp-compression based on the use of in-situ pressure calibrants, similar to the methods often adopted in static-compression experiments with diamond anvil cells. Focusing on experiments using a diamond window, we discuss challenges and mitigation strategies for the novel approach. Our study, in addition to providing new structural information of 5 metals up to hundreds of GPa, provides validation to the currently used methods based on time-resolved measurement of the diamond free-surface velocity, and reveals that the use of in-situ calibrants enables a factor of four reduction in the pressure uncertainty in these experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗