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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Hall coefficient and resistivity in the doped bilayer Hubbard model

Finding and understanding non-Fermi-liquid transport behaviors are at the core of condensed matter physics. Most of the existing studies in this field were devoted to the monolayer Hubbard model, which is the minimal model that captures the essential features of high-temperature superconductivity. Here, we discover another type of non-Fermi-liquid behavior emergent in the hole-doped bilayer Hubbard model, using dynamical mean-field theory with a full consideration of the short-range interlayer electron correlation. We find that at low temperatures, the Hall coefficient has a strong nonmonotonic dependence on temperature, leading to a double or quadruple reversal of its sign depending on the doping level. At the same time, the resistivity exhibits two plateaus rather than linearity in its temperature dependence. Finally, we show that these intriguing transport behaviors stem from the formation of coherent interlayer singlets, which scatter off gapped collective modes arising from short-range interlayer antiferromagnetic fluctuations.

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 OSTI2024

Pairing tendencies in the doped Kitaev-Heisenberg model

Here, we study the impact of hole doping on the Kitaev-Heisenberg model on the honeycomb lattice. We investigate the pairing tendencies and correlation functions in the framework of a t - J - K model using density matrix renormalization group calculations on three-leg cylinders. In the case of the pure Kitaev model, which realizes a quantum spin-liquid phase at half-filling, we find that binding of two holes only occurs at low values of the hopping, where the holes are slow. We have theoretically verified that pair formation occurs in the limit of immobile holes, where the pure Kitaev model remains exactly solvable. When we instead fix the hopping at an intermediate, more realistic, value, and vary the Heisenberg and Kitaev interaction strengths, we find pairing tendencies only in the Néel phase. This is in contrast to prior mean-field calculations, highlighting the importance of accounting for the kinetic energy of dopants in generalized Kitaev models. Interestingly, we also find signatures of pair-density wave formation over the studied range of model parameters, namely, a periodic modulation of the charge density as well as the spin-spin and pair-pair correlations in real space. Moreover, we present a comparative study of the different correlations as a function of doping. We finally discuss the potential for experimentally observing the studied physics in quantum materials and heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Doped moiré magnets: Renormalized flat bands and excitonic phases

Here, we explore the phase diagram of a twisted bilayer of strongly interacting electrons on a honeycomb lattice close to half filling using the slave-boson mean-field theory. Our analysis indicates that a variety of new phases can be realized as a function of chemical doping and twist angle. In particular, we find a nonmagnetic excitonic insulating phase that breaks the translational symmetry of the underlying moiré pattern. This phase results from the interplay of strong Coulomb interactions and the twist angle. In addition, we show that the features of the renormalized dispersion, such as the magic angles, depend significantly on the interactions. Our results highlight the rich physics arising in doped moiré superlattices of Mott insulators.

flat bands↗
DOE OSTI2024

Electronic structure, self-doping, and superconducting instability in the alternating single-layer trilayer stacking nickelates La 3 ⁢Ni 2 ⁢O 7

Motivated by the recently proposed alternating single-layer trilayer stacking structure for the nickelate La 3 ⁢Ni 2 ⁢O 7 , we comprehensively study this system using ab initio and random-phase approximation techniques. Here, our analysis unveils similarities between this novel La 3⁢ Ni 2 ⁢O 7 structure and other Ruddlesden-Popper nickelate superconductors, such as a similar charge-transfer gap value and orbital-selective behavior of the eg orbitals. Pressure primarily increases the bandwidths of the Ni e g bands, suggesting an enhancement of the itinerant properties of those e g states. By changing the cell volume ratio V/V 0 from 0.9 to 1.10, we found that the bilayer structure in La 3 ⁢Ni 2 ⁢O 7 always has lower energy than the single-layer trilayer stacking La 3 ⁢Ni 2 ⁢O 7 . In addition, we observe a “self-doping” effect (compared to the average 1.5 electrons per eg orbital per site of the entire structure) from the trilayer to the single-layer sublattices and this effect will be enhanced by overall electron doping. Moreover, we find a leading d x 2 -y 2 -wave pairing state that is restricted to the single layer. Because the effective coupling between the single layers is very weak, due to the nonsuperconducting trilayer in-between, this suggests that the superconducting transition temperature T c in this structure should be much lower than in the bilayer structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Local rare-earth dopant structure in a complex-oxide/semiconductor heterojunction: Molecular beam epitaxy grown Yb-doped SrTiO3 on Si(001)

We have investigated the structural and electronic properties of Yb-doped SrTiO3/Si(001) grown by molecular beam epitaxy. Other rare-earth donor dopants that result in n-type conductivity typically substitute for Sr at the A-sites in the perovskite lattice. In contrast, Yb has been found to substitute predominantly for Ti at the perovskite B-sites based on data from atomically resolved scanning transmission electron microscopy and spectroscopy, as well as extended x-ray absorption fine structure. Yb exhibits two distinct charge states as determined by x-ray absorption spectroscopy and associated modeling, +2.7 and +2.1. These aliovalent substitutional dopants are compensated by donor electrons from oxygen vacancies that form during epitaxial film growth. An atom beam flux mismatch was present during film depositions because it was assumed that Yb would occupy A-sites, leading to a flux matching formula given by Yb + Sr = Ti. However, the formation of YbTi rather than YbSr results in Sr vacancies and extraneous (i.e. non-lattice) Ti atoms in the films, or on the film surfaces. The presence of these defects, together with oxygen vacancies, leads to deep-level electron traps that were detected by resonant photoemission and much higher sheet resistance than that associated with, for instance, La-doped films.

Chambers, Scott A. (ORCID:000000025415043X)↗
DOE OSTI2025

Superconductivity in the lightly doped Hubbard model on the cylindrical honeycomb lattice

Here, we have performed large-scale density-matrix renormalization group studies of the lightly doped Hubbard model on the honeycomb lattice on long three- and four-leg cylinders. We find that the ground state of the system upon lightly doping is consistent with that of a superconducting state with coexisting quasi-long-range superconducting and charge density wave orders. Both the superconducting and charge density wave correlations decay as a power law at long distances with corresponding exponents 𝐾 𝑠⁢𝑐 < 2 and 𝐾 𝑐 < 2. On the contrary, the spin-spin and single-particle correlations decay exponentially, although with relatively long correlation lengths.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Thermodynamic stability of xenon-doped liquid argon detectors

Liquid argon detectors are employed in a wide variety of nuclear and particle physics experiments. The addition of small quantities of xenon to argon modifies its scintillation, ionization, and electroluminescence properties and can improve its performance as a detection medium. However, a liquid argon-xenon mixture can develop instabilities, especially in systems that require phase transitions or that utilize high xenon concentrations. In this work, we analyze the causes of these instabilities and describe a small (liter-scale) apparatus with a unique cryogenic circuit specifically designed to handle argon-xenon mixtures. The system is capable of condensing argon gas mixed with $\mathscr{O}$ (1%) xenon by volume and maintains a stable liquid mixture near the xenon saturation limit while actively circulating it in the gas phase. We also demonstrate control over instabilities that develop when the detector condition is allowed to deviate from optimized settings. This progress enables future liquid argon detectors to benefit from the effects of high concentrations of xenon doping, such as more efficient detection of low-energy ionization signals. In conclusion, this work also develops tools to study and mitigate instabilities in large argon detectors that use low concentration xenon doping.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Doped semiconductor devices for sub-MeV dark matter detection

Dopant atoms in semiconductors can be ionized with ∼ 10 meV energy depositions, allowing for the design of low-threshold detectors. We propose using doped semiconductor targets to search for sub-MeV dark matter scattering or sub-eV dark matter absorption on electrons. Currently unconstrained cross sections could be tested with a 1 g-day exposure in a doped detector with backgrounds at the level of existing pure semiconductor detectors, but improvements would be needed to probe the freeze-in target. We discuss the corresponding technological requirements and lay out a possible detector design. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2020

Strongly Correlated Charge Density Wave in La 2 – x Sr x CuO 4 Evidenced by Doping-Dependent Phonon Anomaly

The discovery of charge-density-wave-related effects in the resonant inelastic x-ray scattering spectra of cuprates holds the tantalizing promise of clarifying the interactions that stabilize the electronic order. In this paper, we report a comprehensive resonant inelastic x-ray scattering study of La 2 – x Sr x CuO 4 finding that charge-density wave effects persist up to a remarkably high doping level of x = 0.21 before disappearing at x = 0.25 . The inelastic excitation spectra remain essentially unchanged with doping despite crossing a topological transition in the Fermi surface. This indicates that the spectra contain little or no direct coupling to electronic excitations near the Fermi surface, rather they are dominated by the resonant cross section for phonons and charge-density-wave-induced phonon softening. We interpret our results in terms of a charge-density wave that is generated by strong correlations and a phonon response that is driven by the charge-density-wave-induced modification of the lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Quantum Phase Diagram and Spontaneously Emergent Topological Chiral Superconductivity in Doped Triangular-Lattice Mott Insulators

The topological superconducting state is a highly sought-after quantum state hosting topological order and Majorana excitations. Here, in this Letter, we explore the mechanism to realize the topological superconductivity (TSC) in the doped Mott insulators with time-reversal symmetry (TRS). Through large-scale density matrix renormalization group study of an extended triangular-lattice t–J model on the six- and eight-leg cylinders, we identify a d + id-wave chiral TSC with spontaneous TRS breaking, which is characterized by a Chern number C=2 and quasi-long-range superconducting order. We map out the quantum phase diagram with by tuning the next-nearest-neighbor (NNN) electron hopping and spin interaction. In the weaker NNN-coupling regime, we identify a pseudogaplike phase with a charge stripe order coexisting with fluctuating superconductivity, which can be tuned into d -wave superconductivity by increasing the doping level and system width. The TSC emerges in the intermediate-coupling regime, which has a transition to a d-wave superconducting phase with larger NNN couplings. The emergence of the TSC is driven by geometrical frustrations and hole dynamics which suppress spin correlation and charge order, leading to a topological quantum phase transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

High-Order Fractal Quantum Oscillations in Graphene/BN Superlattices in the Extreme Doping Limit

Recent studies of van der Waals (vdW) heterostructures and superlattices have shown intriguing quantum phenomena, but these have been largely explored only in the moderate carrier density regime. Here, we report the probe of high-temperature fractal Brown-Zak (BZ) quantum oscillations through magnetotransport in the extreme doping regimes by applying a newly developed electron beam doping technique. Further, this technique gives access to both ultrahigh electron and hole densities beyond the dielectric breakdown limit in graphene/BN superlattices, enabling the observation of nonmonotonic carrier-density dependence of fractal BZ states and up to fourth-order fractal BZ features despite strong electron-hole asymmetry. Theoretical tight-binding simulations qualitatively reproduce all observed fractal BZ features and attribute the nonmonotonic dependence to the weakening of superlattice effects at high carrier densities.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Symmetric Kondo Lattice States in Doped Strained Twisted Bilayer Graphene

We use the topological heavy fermion (THF) model and its Kondo lattice (KL) formulation to study the possibility of a symmetric Kondo (SK) state in twisted bilayer graphene. Via a large-N approximation, we find a SK state in the KL model at fillings v = 0,±1,±2 where a KL model can be constructed. In the SK state, all symmetries are preserved and the local moments are Kondo screened by the conduction electrons. At the mean-field level of the THF model at v = 0,±1,±2,±3 we also find a similar symmetric state that is adiabatically connected to the symmetric Kondo state. We study the stability of the symmetric state by comparing its energy with the ordered (symmetry-breaking) states found in [H. Hu et al., Phys. Rev. Lett. 131, 026502 (2023)., Z.-D. Song and B. A. Bernevig, Phys. Rev. Lett. 129, 047601 (2022).] and find the ordered states to have lower energy at v = 0,±1,±2. However, moving away from integer fillings by doping the light bands, our mean-field calculations find the energy difference between the ordered state and the symmetric state to be reduced, which suggests the loss of ordering and a tendency toward Kondo screening. In order to include many-body effects beyond the mean-field approximation, we also performed dynamical mean-field theory calculations on the THF model in the nonordered phase. The spin susceptibility follows a Curie behavior at v = 0,±1,±2 down to ~2 K where the onset of screening of the local moment becomes visible. This hints to very low Kondo temperatures at these fillings, in agreement with the outcome of our mean-field calculations. At noninteger filling v = ±0.5,±0.8,±1.2 dynamical mean-field theory shows deviations from a 1/T susceptibility at much higher temperatures, suggesting a more effective screening of local moments with doping. Lastly, we study the effect of a C 3⁢z -rotational-symmetry-breaking strain via mean-field approaches and find that a symmetric phase (that only breaks C 3⁢z symmetry) can be stabilized at sufficiently large strain at v = 0,±1,±2. Our results suggest that a symmetric Kondo phase is strongly suppressed at integer fillings, but could be stabilized either at noninteger fillings or by applying strain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Anomalous frequency and temperature dependent scattering in the dilute metallic phase in lightly doped-SrTiO 3

The mechanism of superconductivity in materials with aborted ferroelectricity and its emergence out of a dilute metallic phase in systems like doped-SrTiO 3 is an outstanding issue in condensed matter physics. This dilute metal has anomalous properties that are both similar and different to those found in the normal state of other unconventional superconductors. For instance, T 2 resistivity can be found at densities that are too small to allow current decay through electronelectron scattering. We have investigated the optical properties of the dilute metallic phase in doped-SrTiO 3 using THz time-domain spectroscopy. At low frequencies the THz response exhibits a Drude-like form as expected for typical metal-like conductivity. We observed the frequency and temperature dependencies to the low energy scattering rate Γ(ω, T) ∝ (¯hω) 2 + (pπk B T) 2 expected in a conventional Fermi liquid. However we find the lowest known p values of 0.39-0.72. As p is 2 in a canonical Fermi liquid and existing models based on energy dependent elastic scattering bound p from below to 1, our observation lies outside current explanation. Our data also gives insight into the high temperature regime and shows that the temperature dependence of the resistivity derives in part from strong T dependent mass renormalizations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Valley-Mediated Singlet- and Triplet-Polaron Interactions and Quantum Dynamics in a Doped WSe 2 Monolayer

In doped transition metal dichalcogenides, optically created excitons (bound electron-hole pairs) can strongly interact with a Fermi sea of electrons to form Fermi polaron quasiparticles. When there are two distinct Fermi seas, as is the case in WSe 2 , there are two flavors of lowest-energy (attractive) polarons—singlet and triplet—where the exciton is coupled to the Fermi sea in the same or opposite valley, respectively. Using two-dimensional coherent electronic spectroscopy, we analyze how their quantum decoherence evolves with doping density and determine the condition under which stable Fermi polarons form. Because of the large oscillator strength associated with these resonances, intrinsic quantum dynamics of polarons as well as valley coherence between coupled singlet- and triplet polarons occur on subpicosecond timescales. Surprisingly, we find that a dark-to-bright state conversion process leads to a particularly long-lived singlet polaron valley polarization, persisting up to 200–800 ps. Valley coherence between the singlet- and triplet polaron is correlated with their energy fluctuations. In conclusion, our finding provides valuable guidance for the electrical and optical control of spin and valley indexes in atomically thin semiconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Enhanced magnetostriction through dilute Ce doping of Fe-Ga

Doping of magnetostrictive galfenol (Fe 82 Ga 18 , in at.%) with rare-earth elements significantly enhances magnetostriction, with the largest gains achieved in textured melt-spun ribbons. Here, it is demonstrated that even extremely dilute Ce, as little as 65 ppm, can double the magnetostrictive response of galfenol when coupled with an appropriate heat treatment. This improvement is correlated with a compression of the host lattice, both of which reach their maximum extent at the calculated solubility limit of Ce in in body-centered cubic (bcc) galfenol, ~ 50 ppm. Beyond this point, excess Ce segregates into CeGa 2 , which forms an interdendritic network throughout the sample at high Ce levels and cannot be resolutionized through heat treatments. These findings point to the importance of solubility limits (i.e., equilibrium thermodynamics) in determining appropriate doping levels or heat treatment couples to optimize magnetostrictive performance, confirming that overdoping is actively detrimental to both material properties and cost.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Insights into ε - Fe 2 O 3 interactions via Cr doping

We report innovative materials, particularly multiferroics, have the potential to transform technology. Full optimization of their usage will require an in-depth understanding of the underlying electronic and magnetic interactions. One such material is ε-Fe 2 O 3 . However, because this hard ferrimagnet with strong magnetoelectric coupling is composed of only Fe 3+ , distinguishing the role of the various sites is incredibly challenging. To overcome this challenge, Cr 3+ ions were doped into the DOh1 sites of ε-Fe 2 O 3 nanoparticles, effectively creating electron deficient defects. The ε-(Fe 1-x Cr x ) 2 O 3 (x = 0.01 to 0.12) nanoparticles have reduced μ 0 H C (T) and M S (T) as the Cr concentration increases. The impact of Cr doping on the local electronic and magnetic structure is characterized. At 10 K, subtle changes are measured, with the T d site electrons becoming increasingly localized as the concentration of electron-deficient DOh1 sites increases. Far more dramatic changes occur at 300 K, when the T d site of the ε-(Fe 1-x Cr x ) 2 O 3 splits into two distinct local environments with Fe 2+ and Fe 4+ character. The nature of this splitting suggests that dynamic electron interactions play a significant role in ε-Fe 2 O 3 ’s magnetic anisotropy and magnetoelectric properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Quantum Dynamics of Attractive and Repulsive Polarons in a Doped MoSe 2 Monolayer

When mobile impurities are introduced and coupled to a Fermi sea, new quasiparticles known as Fermi polarons are formed. There are two interesting, yet drastically different regimes of the Fermi polaron problem: (i) the attractive polaron (AP) branch connected to pairing phenomena spanning the crossover from BCS superfluidity to the Bose-Einstein condensation of molecules and (ii) the repulsive branch (RP), which underlies the physics responsible for Stoner’s itinerant ferromagnetism. Here, we study Fermi polarons in two-dimensional systems, where many questions and debates regarding their nature persist. The model system we investigate is a doped MoSe2 monolayer. We find the observed AP-RP energy splitting and the quantum dynamics of attractive polarons agree with the predictions of polaron theory. As the doping density increases, the quantum dephasing of the attractive polarons remains constant, indicative of stable quasiparticles, while the repulsive polaron dephasing rate increases nearly quadratically. The dynamics of Fermi polarons are of critical importance for understanding the pairing and magnetic instabilities that lead to the formation of rich quantum phases found in a wide range of physical systems including nuclei, cold atomic gases, and solids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗