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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Unconventional Fractional Phases in Multiband Vortexable Systems

We study topological flat bands with distinct features that deviate from conventional Landau level behavior. We show that even in the ideal quantum geometry limit, moiré flat band systems can exhibit physical phenomena fundamentally different from Landau levels without lattices. In particular, we find new fractional quantum Hall states emerging from multiband vortexable systems, where multiple exactly flat bands appear at the Fermi energy. While the set of bands as a whole exhibits ideal quantum geometry, individual bands separately lose vortexability, and thus making them very different from a stack of Landau levels. At certain filling fractions, we find fractional states whose Hall conductivity deviates from the filling factor. Through careful numerical and analytical studies, we rule out all known mechanisms—such as fractional quantum Hall crystals or separate filling of trivial and topological bands—as possible explanations. Leveraging the exact solvability of vortexable systems, we use analytic Bloch wave functions to uncover the origin of these new fractional states, which arises from the commensurability between the moiré unit cell and the magnetic unit cell of an emergent effective magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Beam breakup instability studies of powerful energy recovery linac for experiments

The maximum achievable beam current in an energy recovery linac (ERL) is often constrained by beam breakup (BBU) instability. Our previous research highlighted that filling patterns have a substantial impact on BBU instabilities in multipass ERLs. In this study, we extend our investigation to the eight-cavity model of the Powerful ERL for Experiment (PERLE). We evaluate its requirements for damping cavity higher order modes (HOMs) and propose optimal filling patterns and bunch timing strategies. Our findings reveal a significant new insight: while filling patterns are crucial, the timing of bunches also plays a critical role in mitigating HOM beam loading and BBU instability. This previously underestimated factor is essential for effective BBU control. We estimated the PERLE threshold current using both analytical and numerical models, incorporating the designed PERLE HOM dampers. During manufacturing, HOM frequencies are expected to vary slightly. Our study found no significant difference in BBU suppression for relative rms frequency jitters of 0.001, 0.002, and 0.005 for the same HOM. Introducing a jitter of 0.001 into our models, we found that the dampers effectively suppressed BBU instability, achieving a threshold current an order of magnitude higher than the design requirement. Our results offer new insights into ERL BBU beam dynamics and have important implications for the design of future ERLs. Published by the American Physical Society 2025

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Fracturing in Wet Granular Media Illuminated by Photoporomechanics

Here, we study fluid-induced deformation and fracture of granular media and apply photoporomechanics to uncover the underpinning grain-scale mechanics. We fabricate spherical photoelastic particles of 2-mm diameter to form a monolayer granular pack in a circular Hele-Shaw cell that is initially filled with a viscous fluid. The key distinct feature of our system is that, with spherical particles, the granular pack has a connected pore space, thus allowing for pore-pressure diffusion and the study of effective stress in coupled poromechanical processes. We inject air into the fluid-filled photoelastic granular pack, varying the initial packing density and confining weight. With our recently developed experimental technique, photoporomechanics, we find two different modes of fluid invasion: fracturing in fluid-filled elastic media (with strong photoelastic response) and viscous fingering in frictional fluids (with weak or negligible photoelastic response). We directly visualize the evolving effective stress field and discover an effective stress shadow behind the propagating fracture tips, where the granular pack exhibits undrained behavior. We conceptualize the behavior of the system by means of a mechanistic model for a wedge of the granular pack bounded by two growing fractures. The model captures the pore-pressure build-up inside the stress shadow region and the grain compaction in the annular region outside. Our model reveals that a jamming transition determines the distinct rheological behavior of the wet granular pack, from a friction-dominated to an elasticity-dominated response.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Resistivity anisotropy of quantum Hall stripe phases

In this work, quantum Hall stripe phases near half-integer filling factors $\nu$ $\geqslant$ 9/2 were predicted by Hartree-Fock (HF) theory and confirmed by discoveries of giant resistance anisotropies in high-mobility two dimensional electron gases. A theory of such anisotropy was proposed by MacDonald and Fisher, although they used parameters whose dependencies on the filling factor, electron density, and mobility remained unspecified. Here, we fill this void by calculating the hard-to-easy resistivity ratio as a function of these three variables. Quantitative comparison with experiment yields very good agreement, which we view as evidence for the “plain vanilla” smectic stripe HF phases

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Theoretical phase diagram of two-component composite fermions in double-layer graphene

Theory predicts that double layer systems realize “two-component composite fermions,” which are formed when electrons capture both intra- and inter-layer vortices, to produce a wide variety of new strongly correlated liquid and crystal states as a function of the layer separation. Recent experiments in double layer graphene have revealed a large number of layer-correlated fractional quantum Hall states in the lowest Landau level, many of which have not been studied quantitatively in previous theoretical works. We consider the competition between various liquid and crystal states at several of these filling factors (specifically, the states at total filling factors ν = 3/7, 4/9, 6/11, 4/7, 3/5, 2/3, and 4/5) to determine the theoretical phase diagram as a function of the layer separation. We compare our results with experiments and identify various observed states. In particular, we show that at small layer separations the states at total fillings ν = 3/7 and ν = 3/5 are partially pseudospin polarized, where pseudospin refers to the layer index. For certain fractions, such as ν = 3/7, interlayer correlations are predicted to survive to surprisingly large interlayer separations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Odd fracton theories, proximate orders, and parton constructions

The Lieb-Schultz-Mattis (LSM) theorem implies that gapped phases of matter must satisfy nontrivial conditions on their low-energy properties when a combination of lattice translation and U(1) symmetry are imposed. We describe a framework to characterize the action of symmetry on fractons and other subdimensional fractional excitations, and use this together with the LSM theorem to establish that X-cube fracton order can occur only at integer or half-odd-integer filling. Using explicit parton constructions, we demonstrate that “odd” versions of X-cube fracton order can occur in systems at half-odd-integer filling, generalizing the notion of odd Z 2 gauge theory to the fracton setting. At half-odd-integer filling, exiting the X-cube phase by condensing fractional quasiparticles leads to symmetry breaking, thereby allowing us to identify a class of conventionally ordered phases proximate to phases with fracton order. We leverage a dual description of one of these ordered phases to show that its topological defects naturally have restricted mobility. In conclusion, condensing pairs of these defects then leads to a fracton phase, whose excitations inherit these mobility restrictions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Formation energy puzzle in intermetallic alloys: Random phase approximation fails to predict accurate formation energies

We performed density functional calculations to estimate the formation energies of intermetallic alloys. We used two semilocal approximations, the generalized gradient approximation (GGA) by Perdew-Burke- Ernzerhof (PBE) and the strongly constrained and appropriately normed (SCAN) meta-GGA. In addition, we utilized two nonlocal DFT functionals, the hybrid HSE06, and the state-of-the-art random phase approximation (RPA). The nonlocal functionals such as HSE06 and RPA yield accurate formation energies of binary alloys with completely-filled d-band metals, where semilocal functionals underperform. The accuracy at the nonlocal functionals is greatly reduced when a partially-filled d-band metal is present in an alloy, while PBE-GGA outperforms in these cases. We show that the accurate prediction of formation energies by any DFT method depends on its ability to predict the accurate electronic properties, e.g., valence d-band contribution to the density of states (DOS). The SCAN meta-GGA often corrects the PBE-DOS, however, it does not provide accurate formation energies compared to PBE. This is assumed to be due to the lack of proper error cancellation that should be expected due to the similar bulk nature of both alloys and their constituents, which may improve with the modification of meta-GGA ingredients. RPA yields too negative formation energies of alloys with partially-filled d-band metals. RPA results can be corrected by restoring the exchange-correlation kernel, thereby improving the short-range electron-electron correlation in metallic densities.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Bardeen-Cooper-Schrieffer pairing of composite fermions

Topological pairing of composite fermions has led to remarkable ideas, such as excitations obeying non-Abelian braid statistics and topological quantum computation. Here, we construct a p-wave paired Bardeen-Cooper-Schrieffer (BCS) wave function for composite fermions in the torus geometry, which is a convenient geometry for formulating momentum space pairing as well as for revealing the underlying composite-fermion Fermi sea. Following the standard BCS approach, we minimize the Coulomb interaction energy at half filling in the lowest and the second Landau levels, which correspond to filling factors ν = 1/2 and ν = 5/2 in GaAs quantum wells, by optimizing two variational parameters that are analogous to the gap and the Debye cut-off energy of the BCS theory. Our results show no evidence for pairing at ν = 1/2 but a clear evidence for pairing at ν = 5/2. To a good approximation, the highest overlap between the exact Coulomb ground state at ν = 5/2 and the BCS state is obtained for parameters that minimize the energy of the latter, thereby providing support for the physics of composite-fermion pairing as the mechanism for the 5/2 fractional quantum Hall effect. We discuss the issue of modular covariance of the composite-fermion BCS wave function, and calculate its Hall viscosity and pair correlation function. By similar methods, we look for but do not find an instability to s-wave pairing for a spin-singlet composite-fermion Fermi sea at half-filled lowest Landau level in a system where the Zeeman splitting has been set to zero.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Critical magnetic fields and electron pairing in magic-angle twisted bilayer graphene

The velocities of the quasiparticles that form Cooper pairs in a superconductor are revealed by the upper critical magnetic field. Here we use this property to assess superconductivity in magic-angle twisted bilayer graphene (MATBG), which has been observed over a range of moiré band-filling, twist angle, and screening environment conditions. An average Fermi velocity can be defined as $v$$^{*}_{F}$ ≡ k B T c ℓ c /ℏ, where T c and ℓ c are the critical temperature and magnetic length, respectively. An advantage of this definition is that $v$$^{*}_{F}$ can be directly extracted from the existing experimental data. Mean-field theory calculations of upper critical fields in model superconductors are consistent with the expectation that Fermi velocities defined in this way are nearly independent of the strength of pairing interaction. Moreover, for fixed strength pairing interaction, minima in $v$$^{*}_{F}$ as a function of band filling are coincident with maxima in T c , as expected from the McMillan formula. Since no association between T c maxima and $v$$^{*}_{F}$ minima is present in MATBG experimental data, we argue that the pairing interaction in MATBG is strongly filling-factor dependent. Furthermore, any theory of MATBG superconductivity must explain this dependence, which is apparently primarily responsible for the observed superconducting domes.

2-dimensional systems↗
DOE OSTI2023

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↗
DOE OSTI2023

Torus geometry eigenfunctions of an interacting multi-Landau-level Hamiltonian

A short-ranged, rotationally symmetric multi-Landau-level model Hamiltonian for strongly interacting electrons in a magnetic field was proposed [A. Anand et al., Phys. Rev. Lett. 126, 136601 (2021)] with the key feature that it allows exact many-body eigenfunctions on the disk not just for quasiholes but for all charged and neutral excitations of the entire Jain sequence filling fractions. We extend this to geometries without full rotational symmetry, namely, the torus and cylinder geometries, and present their spectra. Exact diagonalization of the interaction on the torus produces the low-energy spectra at filling fraction v = n/(2⁢pn + 1) that is identical, up to a topological (2⁢pn + 1)-fold multiplicity, to that of the integer quantum Hall spectra at v = n, for the incompressible state as well as all excitations. While the ansatz eigenfunctions in the disk geometry cannot be generalized to closed geometries such as torus or sphere, we show how to extend them to cylinder geometry. Meanwhile, we show eigenfunctions for charged excitations at filling fractions between 1/3 and 2/5 can be written on the torus and the spherical geometries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Triangular lattice Hubbard model physics at intermediate temperatures

Moiré systems offer an exciting playground to study the many-body effects of strongly correlated electrons in regimes that are not easily accessible in conventional material settings. Motivated by a recent experiment on WSe 2 /WS 2 moiré bilayers [Y. Tang et al., Nature (London) 579, 353 (2020)], which realized a triangular superlattice with a small hopping (of approximately 10 Kelvin), with tunable density of holes, we explore the Hubbard model on the triangular lattice for intermediate temperatures t ≲ T < U. Employing finite-temperature Lanczos calculations and closely following the fitting protocols used in the experiment, we recover the observed trends in the reported Curie-Weiss temperature Θ with filling, using the reported interaction strength U/t=20. Here, we focus on the large increase of |Θ| on decreasing the density below half filling and the sign change of Θ at higher fillings, which signals the onset of ferromagnetism. The increase in |Θ| is also seen in the t–J model (the low-energy limit of the Hubbard model) in the intermediate temperature range, which we clarify is opposite to the trend in its high temperature limit. Differences between the low, intermediate, and high temperature regimes are discussed. Our numerical calculations also capture the crossover between short-range antiferromagnetic to ferromagnetic order in the intermediate temperature regime, a result broadly consistent with the experimental findings. We find that this behavior is a finite-temperature remnant of the underlying zero-temperature phase transition, which we explore with ground-state density matrix renormalization group calculations. We provide evidence of ferromagnetism characterized by weak (but robust) correlations that explain the small Θ seen in the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Magnetism and quantum melting in moiré-material Wigner crystals

Recent experiments have established that semiconductor-based moir´e materials can host incompressible states at a series of fractional moir´e-miniband fillings. These states have been identified as generalized Wigner crystals in which electrons localize on a subset of the available triangular-lattice moir´e superlattice sites. In this article, we use momentum-space exact diagonalization to investigate the many-body ground state evolution at rational fillings from the weak-hopping classical lattice gas limit, in which only spin degrees-of-freedom are active at low energies, to the strong-hopping metallic regime where the Wigner crystals melt. We specifically address the nature of the magnetic ground states of the generalized Wigner crystals at fillings ν = 1/3 and ν = 2/3.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Topological phase transition without single particle gap closing in strongly correlated systems

Here, in this study, we show two models where changing topology does not necessarily close the bulk insulating charge gap as demanded in the standard noninteracting picture. From extensive determinantal and dynamical cluster quantum Monte Carlo simulations of the half-filled and quarter-filled Kane-Mele-Hubbard model, we show that, for sufficiently strong interactions at either half- or quarter-filling, a transition between topological and trivial insulators occurs without the closing of a charge gap. To shed light on this behavior, we illustrate that an exactly solvable model reveals that while the single-particle gap remains, the many-body gap does, in fact, close. These two gaps are the same in the noninteracting system but depart from each other as the interaction turns on. We purport that for interacting systems, the proper probe of topological phase transitions is the closing of the many-body rather than the single-particle gap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Magnetic phase diagram of a two-orbital model for bilayer nickelates with varying doping

Motivated by the recently discovered high-T c bilayer nickelate superconductor La 3⁢ Ni 2 ⁢O 7 , we comprehensively research a bilayer 2×2×2 cluster for different electronic densities n by using the Lanczos method. We also employ the random-phase approximation to quantify the first magnetic instability with increasing Hubbard coupling strength, also varying n. Based on the spin structure factor S(q), we have obtained a rich magnetic phase diagram in the plane defined by n and U/W, at fixed Hund coupling, where U is the Hubbard strength and W the bandwidth. We have observed numerous states, such as A-AFM, Stripes, G-AFM, and C-AFM. At half-filling, n=2 (two electrons per Ni site, corresponding to N=16 electrons), the canonical superexchange interaction leads to a robust G-AFM state (π,π,π) with antiferromagnetic couplings both in-plane and between layers. By increasing or decreasing electronic densities, ferromagnetic tendencies emerge from the “half-empty” and “half-full” mechanisms, leading to many other interesting magnetic tendencies. In addition, the spin-spin correlations become weaker both in the hole or electron doping regions compared with half-filling. At n=1.5 (or N=12), density corresponding to La 3 ⁢Ni 2 ⁢O 7 , we obtained the “Stripe 2” ground state (antiferromagnetic coupling in one in-plane direction, ferromagnetic coupling in the other, and antiferromagnetic coupling along the z axis) in the 2×2×2 cluster. In addition, we obtained a much stronger AFM coupling along the z axis than the magnetic coupling in the xy plane. The random-phase approximation calculations with varying n give very similar results as Lanczos, even though both techniques are based on quite different procedures. Additionally, a state with q/π=(0.6,0.6,1) close to the E-phase wavevector is found in our RPA calculations by slightly reducing the filling to n=1.25, possibly responsible for the E-phase SDW recently observed in experiments. In conclusion, our predictions can be tested by chemically doping La 3 ⁢Ni 2 ⁢O 7 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Cascades between Light and Heavy Fermions in the Normal State of Magic-Angle Twisted Bilayer Graphene

We present a framework for understanding the cascade transitions and the Landau level degeneracies of twisted bilayer graphene. The Coulomb interaction projected onto narrow bands causes the charged excitations at an integer filling to disperse, forming new bands. If the excitation moves the filling away from the charge neutrality point, then it has a band minimum at the moiré Brillouin zone center with a small mass that compares well with the experiment; if towards the charge neutrality point, then it has a much larger mass and a higher degeneracy. At a nonzero density away from an integer filling the excitations interact. The system on the small mass side has a large bandwidth and forms a Fermi liquid. On the large mass side the bandwidth is narrow, the compressibility is negative and the Fermi liquid is likely unstable. This explains the observed sawtooth features in compressibility, the Landau fans pointing away from charge neutrality and their degeneracies. The framework sets the stage for superconductivity at lower temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Kondo Lattice Model of Magic-Angle Twisted-Bilayer Graphene: Hund’s Rule, Local-Moment Fluctuations, and Low-Energy Effective Theory

For this work, we apply a generalized Schrieffer-Wolff transformation to the extended Anderson-like topological heavy fermion (THF) model for the magic-angle (θ=1.05°) twisted bilayer graphene (MATBLG) [Phys. Rev. Lett. 129, 047601 (2022)], to obtain its Kondo lattice limit. In this limit localized $\mathcal{f}$ electrons on a triangular lattice interact with topological conduction $\mathcal{c}$ electrons. By solving the exact limit of the THF model, we show that the integer fillings ν=0, ±1, ±2 are controlled by the heavy $\mathcal{f}$ electrons, while ν=±3 is at the border of a phase transition between two $\mathcal{f}$-electron fillings. For ν=0, ±1, ±2, we then calculate the Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions between the $\mathcal{f}$ moments in the full model and analytically prove the SU(4) Hund’s rule for the ground state which maintains that two $\mathcal{f}$ electrons fill the same valley-spin flavor. Our (ferromagnetic interactions in the) spin model dramatically differ from the usual Heisenberg antiferromagnetic interactions expected at strong coupling. We show the ground state in some limits can be found exactly by employing a positive semidefinite “bond-operators” method. We then compute the excitation spectrum of the $\mathcal{f}$ moments in the ordered ground state, prove the stability of the ground state favored by RKKY interactions, and discuss the properties of the Goldstone modes, the (reason for the accidental) degeneracy of (some of) the excitation modes, and the physics of their phase stiffness. We develop a low-energy effective theory for the $\mathcal{f}$ moments and obtain analytic expressions for the dispersion of the collective modes. We discuss the relevance of our results to the spin-entropy experiments in TBG.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Correlation effects in magic-angle twisted bilayer graphene: An auxiliary-field quantum Monte Carlo study

Magic-angle twisted bilayer graphene (MATBG) presents a fascinating platform for investigating the effects of electron interactions in topological flat bands. The Bistritzer-MacDonald (BM) model provides a simplified quantitative description of the flat bands. Introducing long-range Coulomb interactions leads to an interacting BM (IBM) Hamiltonian, a momentum-space continuum description which offers a very natural starting point for many-body studies of MATBG. Accurate and reliable many-body computations in the IBM model are challenging, however, and have been limited mostly to special fillings or smaller lattice sizes. We employ a state-of-the-art auxiliary-field quantum Monte Carlo (AFQMC) method to study the IBM model, which constrains the sign problem to enable accurate treatment of large system sizes. We determine ground-state properties and quantify errors compared to mean-field theory calculations. Our calculations identify correlated metal states and their competition with the insulating Kramers intervalley-coherent state at both half-filling and charge neutrality. Additionally, we investigate one- and three-quarter fillings, and examine the effect of many-body corrections beyond single Slater determinant solutions. We discuss the effect that details of the IBM Hamiltonian have on the results, including different forms of double-counting corrections, and the need to establish and precisely specify many-body Hamiltonians to allow more direct and quantitative comparisons with experiments in MATBG. Published by the American Physical Society 2025

Xiao, Zhi-Yu (ORCID:0000000219531579)↗