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At least 1,243 records · Page 69

Many-body Green's function approaches to the doped Fröhlich solid: Exact solutions and anomalous mass enhancement

In polar semiconductors and insulators, the Fröhlich interaction between electrons and long-wavelength longitudinal optical phonons induces a many-body renormalization of the carrier effective masses and the appearance of characteristic phonon sidebands in the spectral function, commonly dubbed “polaron satellites.” The simplest model that captures these effects is the Fröhlich model, whereby electrons in a parabolic band interact with a dispersionless longitudinal optical phonon. The Fröhlich model has been employed in a number of seminal papers, from early perturbation-theory approaches to modern diagrammatic Monte Carlo calculations. One limitation of this model is that it focuses on undoped systems, thus ignoring carrier screening and Pauli blocking effects that are present in real experiments on doped samples. Here, to overcome this limitation, we extend the Fröhlich model to the case of doped systems, and we provide exact solutions for the electron spectral function, mass enhancement, and polaron satellites. We perform the analysis using two approaches, namely, Dyson’s equation with the Fan-Migdal self-energy, and the second-order cumulant expansion. We find that these two approaches provide qualitatively different results. In particular, Dyson’s approach yields better quasiparticle masses and worse satellites, while the cumulant approach provides better satellite structures, at the price of worse quasiparticle masses. Both approaches yield an anomalous enhancement of the electron effective mass at finite doping levels, which in turn leads to a breakdown of the quasiparticle picture in a significant portion of the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic field dependent thermodynamic properties of square and quadrupolar artificial spin ice

Applied magnetic fields are an important tuning parameter for artificial spin ice (ASI) systems, as they can drive phase transitions between different magnetic ground states or tune through regimes with high populations of emergent magnetic excitations (e.g., monopole-like quasiparticles). Here, using simulations supported by experiments, we investigate the thermodynamic properties and magnetic phases of square and quadrupolar ASI as a function of applied in-plane magnetic fields. Monte Carlo simulations are used to generate field-dependent maps of the magnetization, the magnetic specific heat, the thermodynamic magnetization fluctuations, and the magnetic order parameters, all under equilibrium conditions. These maps reveal the diversity of magnetic orderings and the phase transitions that occur in different regions of the phase diagrams of these ASIs, and are experimentally supported by magnetooptical measurements of the equilibrium “magnetization noise” in thermally active ASIs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Phenomenological theory of the magnetic 90° helical state

We explore a phenomenological phase diagram for the magnetic helical state with 90° turn angle between neighboring spins in the external magnetic field. Such a state is formed by the Eu spin layers in the superconducting iron arsenide RbEuFe 4 As 4 . The peculiarity of this spin configuration is that it is not realized in the standard Heisenberg model with bilinear exchange interactions. A minimum model allowing for such a state requires the biquadratic nearest-neighbor interaction term. In addition, in tetragonal materials, the 90° helix state may be stabilized by the in-plane fourfold anisotropy term, which also fixes helix orientation with respect to the crystal lattice. Such a system has a very rich behavior in the external magnetic field. The magnetic field induces the metamagnetic transition to the double-periodic state with the moment angles (α α -α,-α) with respect to the field for the four subsequent spins. The transition field to this state from the deformed helix is determined by the strength of biquadratic interaction. The transition is second-order for small biquadratic coupling and becomes first-order when this coupling exceeds the critical value. On the other hand, the aligned state at high magnetic field becomes unstable with respect to the formation of an incommensurate fan state, which transforms into the double-periodic state with decreasing magnetic field. The range of this incommensurate state near the saturation field is proportional to square of the biquadratic coupling. In addition, when the magnetic field is applied along one of four the equilibrium moment directions, the deformed helix state experience the first-order rotation transition at the field determined by the fourfold anisotropy.

36 MATERIALS SCIENCE↗

Accurate tight-binding model for twisted bilayer graphene describes topological flat bands without geometric relaxation

A major hurdle in understanding the phase diagram of twisted bilayer graphene is the roles of lattice relaxation and electronic structure on isolated band flattening near magic twist angles. Here in this work, the authors develop an accurate local environment tight-binding model fit to tight-binding parameters computed from ab initio density-functional theory calculations across many atomic configurations. With the accurate parametrization, it is found that the magic angle shifts to slightly lower angles than often quoted, from around 1.05° to around 0.99°, and that isolated flat bands appear for rigidly rotated graphene layers, with enhancement of the flat bands when the layers are allowed to distort. Study of the orbital localization supports the emergence of fragile topology in the isolated flat bands without the need for lattice relaxation.

36 MATERIALS SCIENCE↗

Bulk and boundary quantum phase transitions in a square Rydberg atom array

Motivated by recent experimental realizations of exotic phases of matter on programmable quantum simulators, we carry out a comprehensive theoretical study of quantum phase transitions in a Rydberg atom array on a square lattice, with both open and periodic boundary conditions. In the bulk, we identify several first-order and continuous phase transitions by performing large-scale quantum Monte Carlo simulations and develop an analytical understanding of the nature of these transitions using the framework of Landau-Ginzburg-Wilson theory. Remarkably, we find that under open boundary conditions, the boundary itself undergoes a second-order quantum phase transition, independent of the bulk. These results explain recent experimental observations and provide important insights into both the adiabatic state preparation of novel quantum phases and quantum optimization using Rydberg atom array platforms.

36 MATERIALS SCIENCE↗

Superconducting properties of the spin Hall candidate Ta 3 Sb with eightfold degeneracy

We report the synthesis and characterization of phase pure Ta 3 Sb, a material predicted to be topological with eightfold degenerate fermionic states [Bradlyn et al., Science 353, aaf5037 (2016)] and to exhibit a large spin Hall effect [Derunova et al., Sci. Adv. 5, eaav8575 (2019)]. We observe superconductivity in Ta 3 Sb with T c ~0.67 K in both electrical resistivity ρ(T) and specific heat c(T) measurements. Field-dependent measurements yield the superconducting phase diagram with an upper critical field of H c2 (0) ~0.95 T, corresponding to a superconducting coherence length of ξ ≈ 18.6 nm. The gap ratio deduced from specific heat anomaly, 2Δ 0 /k B T c is 3.46, a value close to the Bardeen-Cooper-Schrieffer value of 3.53. From a detailed analysis of both the transport and thermodynamic data within the Ginsburg-Landau (GL) framework, a GL parameter of κ ≈ 90 is obtained, identifying Ta 3 Sb as an extreme type-II superconductor. The observation of superconductivity in an eightfold degenerate fermionic compound with topological surface states and predicted large spin Hall conductance positions Ta 3 Sb as an appealing platform to further explore exotic quantum states in multifold degenerate systems.

36 MATERIALS SCIENCE↗

Commensuration effects on skyrmion Hall angle and drag for manipulation of skyrmions on two-dimensional periodic substrates

Here, we examine the dynamics of an individually driven skyrmion moving through a background lattice of skyrmions coupled to a 2D periodic substrate as we vary the ratio of the number of skyrmions to the number of pinning sites across commensurate and incommensurate conditions. As the skyrmion density increases, the skyrmion Hall angle is nonmonotonic, dropping to low or zero values in commensurate states and rising to an enhanced value in incommensurate states. Under commensuration, the driven skyrmion is channeled by a symmetry direction of the pinning array and exhibits an increased velocity. At fillings for which the skyrmion Hall angle is zero, the velocity has a narrow band noise signature, while for incommensurate fillings, the skyrmion motion is disordered and the velocity noise is broad band. Under commensurate conditions, multi-step depinning transitions appear and the skyrmion Hall angle is zero at low drives but becomes finite at higher drives, while at incommensurate fillings there is only a single depinning transition. As the gyrotropic component of the skyrmion dynamics, called the Magnus force, increases, peaks in the velocity that appear in commensurate regimes cross over to dips, and new types of directional locking effects can arise in which the skyrmion travels along other symmetry directions of the background lattice. At large Magnus forces, and particularly at commensurate fillings, the driven skyrmion can experience a velocity boost in which the skyrmion moves faster than the applied drive due to the alignment of the Magnus-induced velocity with the driving direction. In some cases, an increase of the Magnus force can produce regimes of enhanced pinning when the skyrmion is forced to move along a nonsymmetry direction of the periodic pinning array. This is in contrast to systems with random pinning, where increasing the Magnus force generally reduces the pinning effect. We demonstrate these dynamics for both square and triangular substrates and map out the different regimes as a function of filling fraction, pinning force, and the strength of the Magnus force in a series of dynamic phase diagrams.

36 MATERIALS SCIENCE↗

Magnetic terahertz resonances above the Néel temperature in the frustrated kagome antiferromagnet averievite

Time-domain magneto-THz spectroscopy is utilized to study the frustrated magnet averievite Cu 5–x Zn x V 2 O 10 (CsCl). Pronounced THz resonances are observed in unsubstituted samples (x = 0) when cooling below the onset of short-range magnetic correlations. The influence of external magnetic effects confirms the magnetic origin of these resonances. Increasing Zn substitution suppresses the resonances, as frustration effects dominate, reflecting the nonmagnetic phases for x > 0.25 compounds. The temperature evolution of the THz spectra is complemented with electron spin resonance spectroscopy. This comparison allows a direct probe of the different contributions from magnetic order, frustration, and structural properties in the phase diagram of averievite. Furthermore, our results illustrate the effect of magnetic interactions in THz spectra of frustrated magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An ℓ 0 ℓ 2 -norm regularized regression model for construction of robust cluster expansions in multicomponent systems

In this work we introduce ℓ 0 ℓ 2 -norm regularization and hierarchy constraints into linear regression for the construction of cluster expansions to describe configurational disorder in materials. The approach is implemented through mixed integer quadratic programming (MIQP). The ℓ 2 -norm regularization is used to suppress intrinsic data noise, while the ℓ 0 -norm is used to penalize the number of nonzero elements in the solution. The hierarchy relation between clusters imposes relevant physics and is naturally included by the MIQP paradigm. As such, sparseness and cluster hierarchy can be well optimized to obtain a robust, converged set of effective cluster interactions with improved physical meaning. We demonstrate the effectiveness of ℓ 0 ℓ 2 -norm regularization in two high-component disordered rocksalt cathode material systems, where we compare the cross-validation, convergence speed, and the reproduction of phase diagrams, voltage profiles, and Li-occupancy energies with those of the conventional ℓ 1 -norm regularized cluster expansion models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Interplay of itinerant electrons and Ising moments in a hybrid honeycomb quantum magnet TmNi 3 Al 9

The interplay between itinerant electrons and local magnetic moments in quantum materials brings about rich and fascinating phenomena and stimulates various developments in the theoretical framework. In this work, thermodynamic, electric transport, and neutron diffraction measurements were performed on a newly synthesized honeycomb lattice magnet TmNi 3 Al 9 . Based on the experimental data, a magnetic-field–temperature phase diagram was constructed, exhibiting three essentially different magnetic regions. Below T N =2.97±0.02KTm 3+ , moments order antiferromagnetically in zero field. We found that the Tm 3+ ions form a pseudodoublet ground state with the Ising-like moments lying normal to the two-dimensional honeycomb layers. Application of a magnetic field along the easy axis gradually suppresses the antiferromagnetic order in favor of an induced ferromagnetic state above the critical field B c =0.92±0.05T. In the vicinity of B c , a strong enhancement of the quantum spin fluctuations was observed. The quantum Ising nature of the local moments and the coupling to itinerant electrons are discussed.

36 MATERIALS SCIENCE↗

Identification of a characteristic doping for charge order phenomena in Bi-2212 cuprates via RIXS

Identifying quantum critical points (QCPs) and their associated fluctuations may hold the key to unraveling the unusual electronic phenomena observed in cuprate superconductors. Recently, signatures of quantum fluctuations associated with charge order (CO) have been inferred from the anomalous enhancement of CO excitations that accompany the reduction of the CO order parameter in the superconducting state. Furthermore, to gain more insight about the interplay between CO and superconductivity, we investigate the doping dependence of this phenomenon throughout the Bi-2212 cuprate phase diagram using resonant inelastic x-ray scattering (RIXS) at the Cu L 3 edge. As doping increases, the CO wavevector decreases, saturating near a commensurate value of 0.25 r.l.u. beyond a characteristic doping p c , where the correlation length becomes shorter than the apparent periodicity (4a 0 ). Such behavior is indicative of the fluctuating nature of the CO; and the proliferation of CO excitations in the superconducting state also appears strongest at p c , consistent with expected behavior at a CO QCP. Intriguingly, p c appears to be near optimal doping, where the superconducting transition temperature T c is maximal.

36 MATERIALS SCIENCE↗

Hamming distance and the onset of quantum criticality

Simulating models for quantum correlated matter unveils the inherent limitations of deterministic classical computations. In particular, in the case of quantum Monte Carlo methods, this is manifested by the emergence of negative weight configurations in the sampling, that is, the sign problem (SP). There have been several recent calculations which exploit the SP to locate underlying critical behavior. Here, utilizing a metric that quantifies phase-space ergodicity in such sampling, the Hamming distance, we suggest a significant advance on these ideas to extract the location of quantum critical points in various fermionic models, in spite of the presence of a severe SP. Combined with other methods, exact diagonalization in our case, it elucidates both the nature of the different phases as well as their location, as we demonstrate explicitly for the honeycomb and triangular Hubbard models, in both their U(1) and SU(2) forms. Furthermore, our approach exemplifies a possible path allowing the exploration of the phase diagram of a variety of fermionic quantum models hitherto considered to be impractical via quantum Monte Carlo simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thermodynamic and electrical transport properties of UTe 2 under uniaxial stress

Despite intense experimental efforts, the nature of the unconventional superconducting order parameter of UTe 2 remains elusive. This puzzle stems from reports of either a single or a double superconducting transition at ambient pressure as well as a complex pressure-temperature phase diagram. To address this issue, we measured the heat capacity and electrical resistivity of UTe 2 under compressive uniaxial stress σ applied along different crystallographic directions. We find that the critical temperature T c of the single observed bulk superconducting transition decreases with σ along [100] and [110] but increases with σ along [001]. Aside from its effect on T c , c-axis stress leads to a significant piezoresistivity. Importantly, an in-plane shear stress σ xy does not induce any observable splitting of the superconducting transition over a stress range of σ xy ≈ 0.17GPa. Furthermore, this result suggests that the superconducting order parameter of UTe 2 may be single component at ambient pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Fractional quantum Hall valley ferromagnetism in the extreme quantum limit

Electrons' multiple quantum degrees of freedom can lead to rich physics, including a competition between various exotic ground states, as well as novel applications such as spintronics and valleytronics. Here we report magnetotransport experiments demonstrating how the valley degree of freedom impacts the fractional quantum states (FQHSs), and the related magnetic-flux-electron composite fermions (CFs), at very high magnetic fields in the extreme quantum limit when only the lowest Landau level is occupied. Unlike in other multivalley two-dimensional electron systems such as Si or monolayer graphene and transition-metal dichalcogenides, in our AlAs sample we can continuously tune the valley polarization via the application of in situ strain. We find that the FQHSs remain exceptionally strong even as they make valley polarization transitions, revealing a surprisingly robust ferromagnetism of the FQHSs and the underlying CFs. Our observation implies that the CFs are strongly interacting in our system. In conclusion, we are also able to obtain a phase diagram for the FQHS and CF valley polarization in the extreme quantum limit as we monitor transitions of the FHQSs with different valley polarizations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Loop-current charge density wave driven by long-range Coulomb repulsion on the kagomé lattice

Recent experiments on vanadium-based nonmagnetic kagomé metals A⁢V 3 ⁢Sb 5 ⁢(A=K,Rb,Cs) revealed evidence for possible spontaneous time-reversal symmetry (TRS) breaking in the charge density wave (CDW) ordered state. The long-sought-after quantum order of loop currents has been suggested as a candidate for the TRS breaking state. However, a microscopic model for the emergence of the loop-current CDW due to electronic correlations is still lacking. Here, in this work, we calculate the susceptibility of the real and imaginary bond orders on the kagomé lattice near van Hove filling, and reveal the importance of next-nearest-neighbor Coulomb repulsion V 2 in triggering the instability toward imaginary bond ordered CDW. The concrete effective single-orbital t–V 1 –V 2 model on the kagomé lattice is then studied, where t and V 1 are the hopping and Coulomb repulsion on the nearest-neighbor bonds. We obtain the mean-field ground states, analyze their properties, and determine the phase diagram in the plane spanned by V 1 and V 2 at van Hove filling. The region dominated by V 1 is occupied by a 2⁢a 0 ×2⁢a 0 real CDW insulator with the inverse of Star-of-David (ISD) bond configuration. Increasing V 2 indeed drives a first-order transition from ISD to stabilized loop-current insulators that exhibit four possible current patterns of different topological properties, leading to orbital Chern insulators. We then extend these results away from van Hove filling and show that electron doping helps the stabilization of loop currents, and gives rise to doped orbital Chern insulators with emergent Chern Fermi pockets carrying large Berry curvature and orbital magnetic moment. Our findings provide a concrete model realization of the loop-current Chern metal at the mean-field level for the TRS breaking normal state of the kagomé superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Transformer quantum state: A multipurpose model for quantum many-body problems

Here, inspired by the advancements in large language models based on transformers, we introduce the transformer quantum state (TQS): a versatile machine learning model for quantum many-body problems. In sharp contrast to Hamiltonian/task specific models, TQS can generate the entire phase diagram, predict field strengths with experimental measurements, and transfer such a knowledge to new systems it has never been trained on before, all within a single model. With specific tasks, fine-tuning the TQS produces accurate results with small computational cost. Versatile by design, TQS can be easily adapted to new tasks, thereby pointing towards a general-purpose model for various challenging quantum problems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ti-6Al-4V to over 1.2 TPa: Shock Hugoniot experiments, ab initio calculations, and a broad-range multiphase equation of state

Titanium alloys are used in a large array of applications. In this work we focus our attention on the most used alloy, Ti-6Al-4V (Ti64), which has excellent mechanical and biocompatibility properties with applications in aerospace, defense, biomedical, and other fields. Here we present high-fidelity experimental shock compression data measured on Sandia’s Z machine. We extend the principal shock Hugoniot for Ti64 to more than threefold compression, up to over 1.2 TPa. We use the data to validate our ab initio molecular dynamics simulations and to develop a highly reliable, multiphase equation of state (EOS) for Ti64, spanning a broad range of temperature and pressures. The first-principles simulations show very good agreement with Z data and with previous three-stage gas gun data from Sandia’s STAR facility. The resulting principal Hugoniot and the broad-range EOS and phase diagram up to 10 TPa and 10 5 K are suitable for use in shock experiments and in hydrodynamic simulations. The high-precision experimental results and high-fidelity simulations demonstrate that the Hugoniot of the Ti64 alloy is stiffer than that of pure Ti and reveal that Ti64 melts on the Hugoniot at a significantly lower pressure and temperature than previously modeled.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Interrelationships between nematicity, antiferromagnetic spin fluctuations, and superconductivity: Role of hotspots in FeSe 1 - x S x revealed by high pressure Se 77 NMR study

The sulfur-substituted FeSe, FeSe 1-x S x , is one of the unique systems that provides an independent tunability of nematicity, antiferromagnetism, and superconductivity under pressure (p). Recently, Rana et al. [K. Rana et al., Phys. Rev. B 101, 180503(R) (2020)] reported, from 77 Se nuclear magnetic resonance (NMR) measurements on FeSe 0.91 S 0.09 under pressure, that there exists a clear role of nematicity in the relationship between antiferromagnetic (AFM) spin fluctuations and the superconducting transition temperature (T c ), where the AFM spin fluctuations are more effective in enhancing T c in the absence of nematicity than with nematicity. Here, motivated by the work, we carried out 77 Se NMR measurements on FeSe 1-x S x with x=0.15 and 0.29 under pressure up to 2.10 GPa to investigate the relationship in a wide range of x in the FeSe 1-x S x system. Based on the new results together with the previously reported data for x=0 [P. Wiecki et al., Phys. Rev. B 96, 180502(R) (2017)] and 0.09 [K. Rana et al. Phys. Rev. B 101, 180503(R) (2020)], we established a p–x–temperature (T) phase diagram exhibiting the evolution of AFM spin fluctuations. From the systematic analysis of the NMR data, we found that the superconducting (SC) state in a nematic state arises from a non-Fermi-liquid state with strong stripe-type AFM spin fluctuations, while the SC state without nematicity comes from a Fermi-liquid state with mild stripe-type AFM spin fluctuations. Furthermore, we show that the previously reported impact of nematicity on the relationship between AFM fluctuations and superconductivity holds throughout the wide range of x from x=0 to 0.29 in FeSe 1-x S x under pressure. We discuss the origin of the role of nematicity in terms of the different numbers of hotspots on Fermi surfaces with and without nematicity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗