Bulk Quantum Research Articles

High-field Studies on Layered Magnetic and Polar Dirac Metals: Novel Quantum Transport Phenomena Coupled with Spin-valley Degrees of Freedom

Recently, the interplay between the Dirac/Weyl fermion and various bulk properties, such as magnetism, has attracted considerable attention, since unconventional transport and optical phenomena were discovered. However, the design principles for such materials have not been established well. Here, we propose that the layered material $A$Mn$X_2$ ($A$: alkaline and rare-earth ions, $X$: Sb, Bi) is a promising platform for systematically exploring strongly correlated Dirac metals, which consists of the alternative stack of the $X^-$ square net layer hosting a 2D Dirac fermion and the $A^{2+}$-Mn$^{2+}$-$X^{3-}$ magnetic block layer. In this article, we shall review recent high-field studies on this series of materials to demonstrate that various types of Dirac fermions are realized by designing the block layer. First, we give an overview of the Dirac fermion coupled with the magnetic order in EuMnBi$_2$ ($A$=Eu). This material exhibits large magnetoresistance by the field-induced change in the magnetic order of Eu layers, which is associated with the strong exchange interaction between the Dirac fermion and the local Eu moment. Second, we review the Dirac fermion coupled with the lattice polarization in BaMn$X_2$ ($A$=Ba). There, spin-valley coupling manifests itself owing to the Zeeman-type spin-orbit interaction, which is experimentally evidenced by the bulk quantum Hall effect observed at high fields.

Radiative corrections to the Lorentzian Engle-Pereira-Rovelli-Livine spin foam propagator

We numerically estimate the divergence of several two-vertex diagrams that contribute to the radiative corrections for the Lorentzian EPRL spin foam propagator. We compute the amplitudes as functions of a homogeneous cutoff over the bulk quantum numbers, fixed boundary data, and different Immirzi parameters, and find that for a class of two-vertex diagrams, those with fewer than six internal faces are convergent. The calculations are done with the numerical framework sl2cfoam-next.

Large and small corrections to the JLMS Formula from replica wormholes

The JLMS formula relates the bulk and boundary relative entropies and is fundamental to the holographic dictionary, providing justification for entanglement wedge reconstruction. We revisit the replica trick for relative entropy and find corrections to the JLMS formula in a variety of scenarios, even after accounting for effects of quantum extremality. We analyze the problem in the PSSY model, a model of Jackiw-Teitelboim gravity coupled to end-of-the-world branes. We find non-perturbative (in G) corrections that are always present, arising from subdominant replica wormhole gravitational saddles that indicate the approximate error-correcting nature of AdS/CFT. Near entanglement phase transitions, these saddles can get enhanced to large corrections. We find O (G−1/2) corrections arising from area fluctuations and O (G−1) corrections from incompressible bulk quantum states. Lastly, we find our most surprising result, an infinite violation of the JLMS formula after the Page time arising from a rank deficiency in the bulk entanglement spectrum. We discuss similar calculations in tensor networks and comment on the implications for bulk reconstruction.

Influence of a Strong Electromagnetic Wave on the Nonlinear Absorption coefficient of Strong lectromagnetic Waves Caused by Electrons Confined in Cylindrical Quantum Wires

The nonlinear absorption coefficient of a strong electromagnetic wave caused by electrons confined in cylindrical quantum wires is theoretically studied by using the quantum kinetic equation for electrons. Analytic expressions of the nonlinear absorption coefficient of a strong electromagnetic wave caused by electrons confined in a cylindrical quantum wire with a parabolic potential for electron-optical phonon scattering is obtained, that the dependence of the nonlinear absorption coefficient on the intensity E0 and the frequency Ω of the external strong electromagnetic wave is strongly and nonlinearly. The analytic expressions are numerically calculated and discussed for a GaAs/GaAsAl quantum wire. The results are compared with those for normal bulk semiconductors and quantum wells to show the differences.

Critical role of magnetic moments in heavy-fermion materials: Revisiting SmB6

Heavy-fermion family exhibits fascinating and often puzzling properties due to the presence of open-shell $f$ ions and the complexity of the associated charge, orbital, and spin degrees of freedom. SmB$_6 $ is a prototypical heavy-fermion compound that is electrically insulating but yet it displays quantum oscillations, which are a telltale signature of the metallic state. Adding to the enigma is the possibility that SmB$_6$ is a topological Kondo insulator. Here, by treating the spin degree of freedom on an equal footing with other degrees of freedom using the parameter-free strongly-constrained and appropriately-normed (SCAN) density functional, we explore the ground-state electronic structure of SmB$_{6}$. A number of competing magnetic phases lying very closely in energy are found, indicating the key role of spin fluctuations in the material. The computed band structure, crystal-field splittings in the $f$-electron complex, the heavy effective electron mass at the Fermi energy, and the large specific heat are all in good agreement with the corresponding experimental results. In particular, our predicted FS explains the experimentally observed bulk quantum oscillations as well as the low electrical conductivity of SmB$_{6}$. The topological Kondo state of SmB$_6$ is shown to be robust regardless of its magnetic configuration. The excellent performance of SCAN in heavy-fermion systems is explained in terms of its ability to treat self-interaction errors and symmetry breaking within the framework of the density functional theory. Our study provides a new approach for modeling heavy-fermion materials.

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.

Tight-binding band structure of β- and α-phase Ga2O3 and Al2O3

Rapid design and development of the emergent ultrawide-bandgap semiconductors Ga2O3 and Al2O3 require a compact model of their electronic structures, accurate over the broad energy range accessed in future high-field, high-frequency, and high-temperature electronics and visible and ultraviolet photonics. A minimal tight-binding model is developed to reproduce the first-principles electronic structures of the β- and α-phases of Ga2O3 and Al2O3 throughout their reciprocal spaces. Application of this model to α-Ga2O3/α-Al2O3 superlattices reveals that intersubband transitions can be engineered to the 1.55μm telecommunications wavelength, opening new directions in oxide photonics. Furthermore, by accurately reproducing the bandgap, orbital character, effective mass, and high-energy features of the conduction band, this compact model will assist in the investigation and design of the electrical and optical properties of bulk materials, devices, and quantum confined heterostructures.

Nanoscale solid-state nuclear quadrupole resonance spectroscopy using depth-optimized nitrogen-vacancy ensembles in diamond

Nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) spectroscopy of bulk quantum materials have provided insight into phenomena, such as quantum phase criticality, magnetism, and superconductivity. With the emergence of nanoscale 2D materials with magnetic phenomena, inductively detected NMR and NQR spectroscopy are not sensitive enough to detect the smaller number of spins in nanomaterials. The nitrogen-vacancy (NV) center in diamond has shown promise in bringing the analytic power of NMR and NQR spectroscopy to the nanoscale. However, due to depth-dependent formation efficiency of the defect centers, noise from surface spins, band bending effects, and the depth dependence of the nuclear magnetic field, there is ambiguity regarding the ideal NV depth for surface NMR of statistically polarized spins. In this work, we prepared a range of shallow NV ensemble layer depths and determined the ideal NV depth by performing NMR spectroscopy on statistically polarized 19F in Fomblin oil on the diamond surface. We found that the measurement time needed to achieve a signal-to-noise ratio of 3 using XY8-N noise spectroscopy has a minimum at an NV ensemble depth of 5.5 ± 1.5 nm for ensembles activated from 100 ppm nitrogen concentration. To demonstrate the sensing capabilities of NV ensembles, we perform NQR spectroscopy on the 11B of hexagonal boron nitride flakes. We compare our best diamond to previous work with a single NV and find that this ensemble provides a shorter measurement time with excitation diameters as small as 4 μm. This analysis provides ideal conditions for further experiments involving NMR/NQR spectroscopy of 2D materials with magnetic properties.

Holographic complexity of quantum black holes

We analyze different holographic complexity proposals for black holes that include corrections from bulk quantum fields. The specific setup is the quantum BTZ black hole, which encompasses in an exact manner the effects of conformal fields with large central charge in the presence of the black hole, including the backreaction corrections to the BTZ metric. Our results show that Volume Complexity admits a consistent quantum expansion and correctly reproduces known limits. On the other hand, the generalized Action Complexity picks up large contributions from the singularity, which is modified due to quantum backreaction, with the result that Action Complexity does not reproduce the expected classical limit. Furthermore, we show that the doubly-holographic setup allows computing the complexity coming purely from quantum fields — a notion that has proven evasive in usual holographic setups. We find that in holographic induced-gravity scenarios the complexity of quantum fields in a black hole background vanishes to leading order in the gravitational strength of CFT effects.

Quantum bit threads and holographic entanglement

Quantum corrections to holographic entanglement entropy require knowledge of the bulk quantum state. In this paper, we derive a novel dual prescription for the generalized entropy that allows us to interpret the leading quantum corrections in a geometric way with minimal input from the bulk state. The equivalence is proven using tools borrowed from convex optimization. The new prescription does not involve bulk surfaces but instead uses a generalized notion of a flow, which allows for possible sources or sinks in the bulk geometry. In its discrete version, our prescription can alternatively be interpreted in terms of a set of Planck-thickness bit threads, which can be either classical or quantum. This interpretation uncovers an aspect of the generalized entropy that admits a neat information-theoretic description, namely, the fact that the quantum corrections can be cast in terms of entanglement distillation of the bulk state. We also prove some general properties of our prescription, including nesting and a quantum version of the max multiflow theorem. These properties are used to verify that our proposal respects known inequalities that a von Neumann entropy must satisfy, including subadditivity and strong subadditivity, as well as to investigate the fate of the holographic monogamy. Finally, using the Iyer-Wald formalism we show that for cases with a local modular Hamiltonian there is always a canonical solution to the program that exploits the property of bulk locality. Combining with previous results by Swingle and Van Raamsdonk, we show that the con- sistency of this special solution requires the semi-classical Einstein’s equations to hold for any consistent perturbative bulk quantum state.

Characterizing and Improving the Thermal Stability of Organic Photovoltaics Based on Halogen-Rich Non-Fullerene Acceptors.

The thermal stability of inverted, halogen-rich non-fullerene acceptor (NFA)-based organic photovoltaics with MoOx as the hole transporting layer is studied at temperatures up to 80 °C. Over time, the power conversion efficiency shows a "check-mark" shaped thermal aging pattern, featuring an early decrease, followed by a long-term recovery. A high Cl concentration at the bulk heterojunction (BHJ)/MoOx interface in the thermally aged device is found using energy dispersive X-ray spectroscopy. X-ray photoelectron spectroscopy shows that the MoOx is chlorinated after thermal aging. With bulk quantum efficiency analysis, we propose an explanation to the check-mark shaped pattern. Inserting a thin C70 layer between the BHJ and MoOx suppresses the thermal degradation mechanisms, resulting in three orders of magnitude increase in device lifetime at 80 °C.

Site dependent catalytic water dissociation on an anisotropic buckled black phosphorus surface.

Black phosphorus (BP) is unique among 2D materials due to its anisotropic puckered structure. It has been used as a multifunctional catalyst for various purposes. In this study, we performed first principles molecular dynamics simulations to understand the water-splitting reaction on a bi-layer BP surface. We focused on the site-specific aqueous reactivity of the buckled surface. A difference in the axis-dependent reactivity is observed owing to edge defects and exposed sites. Thus, we believe that BP edges, which significantly affect the interfacial water or organic solvent molecules, must exhibit very different edge-dependent reactivity. Experiments suggested the increasing catalytic efficiency of undisturbed BP in the order bulk, few-layered BP, and BP quantum dots. We choose three active sites to investigate the mechanistic details of the OER: the zigzag (ZZ), armchair (AC), and bulk sites. This study will provide insight into the enhanced catalytic activity when more edges are exposed as the active surface. We hope to clarify the reactive pathway in an aqueous solution supported by bi-layer BP by exploring the two different mechanisms for forming the OOH* complex. We explore and report two mechanisms: a simple push-pull reaction for oxygen-oxygen bond formation, the nucleophilic attack by formed OH- and an attack by a water molecule. The free energy barriers procured for mechanism 1 taking place at the zigzag, armchair, and bulk sites are 7.59 ± 0.33, 9.04 ± 0.01, and 12.80 ± 0.09 kcal mol-1, respectively. For mechanism 2 the free energy barriers are 7.62 ± 0.11, 9.15 ± 0.16, and 11.63 ± 0.11 kcal mol-1 for the ZZ, AC, and bulk sites. The interlink between both the mechanisms is established concerning the reported free energy barriers for OOH* formation. The ZZ site is found to lower the activation barrier for the rate-determining step, followed by the AC and bulk.

Entanglement island, miracle operators and the firewall

In this paper, we obtain some general results on information retrieval from the black hole interior, based on the recent progress on quantum extremal surface formula and entanglement island. We study an AdS black hole coupled to a bath with generic dynamics, and ask whether it is possible to retrieve information about a small perturbation in the interior from the bath system. We show that the one-norm distance between two reduced states in a bath region A is equal to the same quantity in the bulk quantum field theory for region AI where I is the entanglement island of A. This is a straightforward generalization of bulk-boundary correspondence in AdS/CFT. However, we show that a contradiction arises if we apply this result to a special situation when the bath dynamics includes a unitary operation that carries a particular measurement to a region A and send the result to another region W. Physically, the contradiction arises between transferability of classical information during the measurement, and non-transferability of quantum information which determines the entanglement island.We propose that the resolution of the contradiction is to realize that the state reconstruction formula does not apply to the special situation involving interior-information-retrieving measurements. This implies that the assumption of smooth replica AdS geometry with boundary condition set by the flat space bath has to break down when the particular measurement operator is applied to the bath. Using replica trick, we introduce an explicitly construction of such operator, which we name as “miracle operators”. From this construction we see that the smooth replica geometry assumption breaks down because we have to introduce extra replica wormholes connecting with the “simulated blackholes” introduced by the miracle operator. We study the implication of miracle operators in understanding the firewall paradox.

Emergent unitarity in de Sitter from matrix integrals

We study Jackiw-Teitelboim gravity with positive cosmological constant as a model for de Sitter quantum gravity. We focus on the quantum mechanics of the model at past and future infinity. There is a Hilbert space of asymptotic states and an infinite-time evolution operator between the far past and far future. This evolution is not unitary, although we find that it acts unitarily on a subspace up to non-perturbative corrections. These corrections come from processes which involve changes in the spatial topology, including the nucleation of baby universes. There is significant evidence that this 1+1 dimensional model is dual to a 0+0 dimensional matrix integral in the double-scaled limit. So the bulk quantum mechanics, including the Hilbert space and approximately unitary evolution, emerge from a classical integral. We find that this emergence is a robust consequence of the level repulsion of eigenvalues along with the double scaling limit, and so is rather universal in random matrix theory.

Magnetic field-induced non-linear transport in HfTe5.

The interplay of electron correlations and topological phases gives rise to various exotic phenomena including fractionalization, excitonic instability and axionic excitation. Recently discovered transition-metal pentatellurides can reach the ultra-quantum limit in low magnetic fields and serve as good candidates for achieving such a combination. Here, we report evidence of density wave and metal-insulator transition in HfTe5 induced by intense magnetic fields. Using the non-linear transport technique, we detect a distinct non-linear conduction behavior in the longitudinal resistivity within the a-c plane, corresponding to the formation of a density wave induced by magnetic fields. In high fields, the onset of non-linear conduction in the Hall resistivity indicates an impurity-pinned magnetic freeze-out as the possible origin of the insulating behavior. These frozen electrons can be gradually reactivated into mobile states above a threshold of electric field. This experimental evidence calls for further investigation into the underlying mechanism of the bulk quantum Hall effect and field-induced phase transitions in pentatellurides.

Tuning of dipolar interactions and evaporative cooling in a three-dimensional molecular quantum gas

Ultracold polar molecules possess long-range, anisotropic and tunable dipolar interactions, providing opportunities to probe quantum phenomena that are inaccessible with existing cold gas platforms. However, experimental progress has been hindered by the dominance of two-body loss over elastic interactions, which prevents efficient evaporative cooling. Although recent work has demonstrated controlled interactions by confining molecules to a two-dimensional geometry, a general approach for tuning molecular interactions in a three-dimensional stable system has been lacking. Here we demonstrate tunable elastic dipolar interactions in a bulk gas of ultracold 40K87Rb molecules in three dimensions, facilitated by an electric field-induced shielding resonance that suppresses the reactive loss by a factor of 30. This improvement in the ratio of elastic to inelastic collisions enables direct thermalization. The thermalization rate depends on the angle between the collisional axis and the dipole orientation controlled by an external electric field, a direct manifestation of the anisotropic dipolar interaction. We achieve evaporative cooling mediated by the dipolar interactions in three dimensions. This work demonstrates full control of a long-lived bulk quantum gas system with tunable long-range interactions, paving the way for the study of collective quantum many-body physics. Realizing the potential of dipolar molecular gases to explore quantum physics needs elastic, tunable interactions and low temperatures. This is now possible due to advances in control that suppress molecular losses and enable efficient cooling.

Modeling UV-Vis spectra of low dimensional materials using electrostatic embedding: The case of CdSe.

We present a generalization of a self-consistent electrostatic embedding approach (SC-Ewald) devised to investigate the photophysical properties of 3D periodic materials, to systems in one- or two-dimensional (2D) reduced periodicity. In this approach, calculations are carried out on a small finite molecular cluster extracted from a periodic model, while the crystalline environment is accounted for by an array of point charges which are fitted to reproduce the exact electrostatic potential (at ground or the excited state) of the infinite periodic system. Periodic density functional theory (DFT) calculations are combined with time dependent DFT calculations to simulate absorption and emission properties of the extended system under investigation. We apply this method to compute the UV-Vis. spectra of bulk and quantum-confined 0D quantum dots and 2D extended nanoplatelets of CdSe, due to their relevance as sensitizers in solar cells technologies. The influence of the size and shape of the finite cluster model chosen in the excited state calculations was also investigated and revealed that, although the long-range electrostatics of the environment are important for the calculation of the UV-Vis, a subtle balance between short- and long-range effects exists. These encouraging results demonstrate that this self-consistent electrostatic embedding approach, when applied in different dimensions, can successfully model the photophysical properties of diverse material classes, making it an attractive low-cost alternative to far more computationally demanding electronic structure methods for excited state calculations.

Giant enhancement of second harmonic light intensity in waveguiding core/shell ZnTe/ZnMgTe nanowires

We present studies of second harmonic generation in core/shell ZnTe/Zn1−xMgxTe nanowires (NWs) with a waveguiding geometry. The NWs are excited by a pulsed femtosecond laser over a broad range of excitation wavelengths from 800 to 1140 nm. This allows us to demonstrate a giant increase in the second harmonic light intensity. We attribute the observed effect to the combined action of absorption by the NW, the confinement of light due to the waveguiding geometry, and the bending of the NWs. We show that a multi-photon luminescence (MPL) is generated alongside the second harmonic light. Furthermore, we demonstrate a strong polarization anisotropy of the second harmonic and MPL signals. Unlike in bulk semiconductors and quantum wells, this anisotropy is not due to the underlying symmetries of the crystal structure, but can be attributed solely to the shape anisotropy of the NW.

Symmetries in Quantum Field Theory and Quantum Gravity

In this paper we use the AdS/CFT correspondence to refine and then establish a set of old conjectures about symmetries in quantum gravity. We first show that any global symmetry, discrete or continuous, in a bulk quantum gravity theory with a CFT dual would lead to an inconsistency in that CFT, and thus that there are no bulk global symmetries in AdS/CFT. We then argue that any “long-range” bulk gauge symmetry leads to a global symmetry in the boundary CFT, whose consistency requires the existence of bulk dynamical objects which transform in all finite-dimensional irreducible representations of the bulk gauge group. We mostly assume that all internal symmetry groups are compact, but we also give a general condition on CFTs, which we expect to be true quite broadly, which implies this. We extend all of these results to the case of higher-form symmetries. Finally we extend a recently proposed new motivation for the weak gravity conjecture to more general gauge groups, reproducing the “convex hull condition” of Cheung and Remmen. An essential point, which we dwell on at length, is precisely defining what we mean by gauge and global symmetries in the bulk and boundary. Quantum field theory results we meet while assembling the necessary tools include continuous global symmetries without Noether currents, new perspectives on spontaneous symmetry-breaking and ’t Hooft anomalies, a new order parameter for confinement which works in the presence of fundamental quarks, a Hamiltonian lattice formulation of gauge theories with arbitrary discrete gauge groups, an extension of the Coleman–Mandula theorem to discrete symmetries, and an improved explanation of the decay $$\pi ^0\rightarrow \gamma \gamma $$ in the standard model of particle physics. We also describe new black hole solutions of the Einstein equation in $$d+1$$ dimensions with horizon topology $${\mathbb {T}}^p\times {\mathbb {S}}^{d-p-1}$$ .

Quantum field theory with dynamical boundary conditions and the Casimir effect: coherent states *

We have studied in a previous work the quantization of a mixed bulk-boundary system describing the coupled dynamics between a bulk quantum field confined to a spacetime with finite space slice and with timelike boundary, and a boundary observable defined on the boundary. Our bulk system is a quantum field in a spacetime with timelike boundary and a dynamical boundary condition—the boundary observable’s equation of motion. Owing to important physical motivations, in such previous work we have computed the renormalized local state polarization and local Casimir energy for both the bulk quantum field and the boundary observable in the ground state and in a Gibbs state at finite, positive temperature. In this work, we introduce an appropriate notion of coherent and thermal coherent states for this mixed bulk-boundary system, and extend our previous study of the renormalized local state polarization and local Casimir energy to coherent and thermal coherent states. We also present numerical results for the integrated Casimir energy and for the Casimir force.