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D. Alan Tennant

Publications and source records attributed to D. Alan Tennant.

At least 19 recordsLinked to original sources

Emergent hidden order in ice: frustration and glassiness from slow hydrogen dynamics

Frustrated systems can host hidden order, in which weak interactions select correlated structure from a highly degenerate manifold. Water ice Ih is the canonical example of such a manifold, yet whether its hydrogen disorder conceals local structure beyond the Bernal-Fowler ice rules has remained controversial. Here, using high-resolution inelastic neutron scattering on single-crystal heavy ice, we identify strongly anisotropic librational phonons dispersing uniaxially along the crystallographic c axis - a spectroscopic signature inaccessible to bulk-averaging probes. A physics-guided analysis reveals that these excitations encode a hidden partial order: correlated polar armchair chains driven by a shallow stereochemical bias that creates an imperfectly flat energy landscape. This bias promotes nanoscale polar domains, yet frustrated topology prevents their straightforward coarsening into the ice XI ground state, trapping the system in a rugged configurational landscape that, within the experimentally constrained model, retains finite residual entropy even in the limit of infinitely slow cooling. These findings show that ice Ih is not a simple disordered solid, but a frustrated, partially ordered hydrogen network with glass-like arrest on a crystalline lattice, providing a microscopic framework that reconciles thermodynamic theory with spectroscopic observations.

cond-mat.mtrl-sci

Orbital-selective oxygen holes in cuprate ladders beyond the Zhang-Rice paradigm

The electronic structure of the spin-ladder cuprate Sr14Cu24O41 challenges the presumed universality of the Zhang-Rice singlet (ZRS) framework and models based exclusively on Cu-O hybridized orbitals. Combining polarization-dependent resonant soft X-ray scattering at the O K-edge with inelastic neutron scattering, we show that doped holes in the Cu2O3 ladders localize predominantly in planar non-bonding O 2pz (pπ) orbitals of rung oxygen sites rather than forming conventional ZRS states. Polarization-resolved RSXS uniquely identifies this orbital assignment, while lattice and magnetic excitations reveal its coupled consequences, establishing a unified microscopic picture that excludes the conventional σ-bonded singlet. This oxygen-sublattice charge order produces an anomalous diagonal stretching phonon and explains the absence of incommensurate magnetic fluctuations and anomalous magnon splitting. These findings motivate a reassessment of hole pairing in ladder cuprates and the sufficiency of copper-centric models for cuprate superconductors.

cond-mat.str-el

A Validation Framework for Quantum Simulation of Spin Dynamics against Inelastic Neutron Scattering and Classical Simulation

Quantitative validation of quantum simulations of dynamical spin response remains challenging because experiment, classical simulation, and quantum simulation do not produce the same native observables. This problem has become increasingly important as quantum simulation protocols for dynamical response have progressed from theory to hardware-level benchmarking against neutron-scattering data, while the longer term goal is validation in regimes that may eventually become classically intractable, including in future fault-tolerant implementations. Here, we develop a cross-pipeline validation framework for quantum simulation, using inelastic neutron scattering and classical many-body simulation as complementary experimental and computational anchors, based on explicit forward and inverse observable maps, covariance- or resampling-based uncertainty propagation, robustness tests for structured distortion, and a hierarchy of complementary metric families. The framework distinguishes stochastic uncertainty from robustness-induced distortion, carries both explicitly through the comparison chain, and uses the resulting metric-level uncertainty and distortion information to support layered validation at the pipeline, solver, and model levels. We also introduce actuator-aware feedback logic aimed at improving agreement without obscuring the physical origin of any remaining mismatch. We close by outlining future extensions of this methodology, including upstream uncertainty and distortion modeling, adaptive feedback, asymmetric validation beyond full classical benchmarking, fault-tolerant workflows, and community infrastructure for reproducible validation.

quant-ph

Intrinsic Topological Weyl Phase Transition Induced by a Magnetostructural Transformation in a Kagome Magnet

Topological phase transitions provide a unique window into the interplay between structure, magnetism, and Weyl physics in magnetic Weyl semimetals. However, realizing an intrinsic Weyl phase transition between two distinct Weyl states near room temperature remains challenging. Here, we demonstrate that a magnetostructural transition effectively induces such a transition in the kagome magnet Mn$_3$Ga. High-resolution neutron diffraction, magnetization characterizations and first-principles calculations reveal that Mn$_3$Ga undergoes a chiral antiferromagnetic transition below 485 K, followed by a magnetostructural transition to a monoclinic structure with highly canted antiferromagnetic order near room temperature. These cooperative changes in lattice and magnetic symmetries reorganize Weyl nodes, driving a transition from a primary type-II Weyl state to a distinct Weyl state, accompanied by dramatic variations in the anomalous Hall effect and appearance of topological Hall effect. Our findings open a new pathway for discovering novel topological Weyl states and potential spintronic applications.

cond-mat.str-el

Spectrum and low-temperature bulk properties of triangular quantum spin liquid candidate NaYbSe$_2$

We report neutron scattering, pressure-dependent AC calorimetry, and AC magnetic susceptibility measurements of triangular lattice NaYbSe$_2$. We observe a continuum of scattering, which is reproduced by matrix product simulations, and no phase transition is detected in any bulk measurements. Comparison to heat capacity simulations suggest the material is within the Heisenberg spin liquid phase. AC Susceptibility shows a frequency-dependent peak at 40 mK, as has been observed in several triangular magnets.

cond-mat.str-el

Nonlinear light cone spreading of correlations in a triangular quantum magnet: a hard quantum simulation target

Dynamical correlations of quantum many-body systems are typically analyzed in the momentum space and frequency basis. However, quantum simulators operate more naturally in real space, real time settings. Here we analyze the real-space time-dependent van Hove spin correlations $G(r,t)$ of the 2D triangular antiferromagnet KYbSe$_2$ as obtained from high-resolution Fourier-transformed neutron spectroscopy. We compare this to $G(r,t)$ from five theoretical simulations of the well-established spin Hamiltonian. Our analysis reveals non-linear sub-ballistic low-temperature transport in KYbSe$_2$ which none of the current state-of-the-art numerical or field-theoretical methods reproduce. Our observation signals an emergent collective hydrodynamics, perhaps associated with the quantum critical phase of a quantum spin liquid, and provides an ideal benchmark for future quantum simulations.

cond-mat.str-el

Tutorial: Extracting entanglement signatures from neutron spectroscopy

This tutorial is a pedagogical introduction to recent methods of computing quantum spin entanglement witnesses from spectroscopy, with a special focus on neutron scattering on quantum spin systems. We offer a brief introduction to the concepts and equations, define a data analysis protocol, and discuss the interpretation of three entanglement witnesses: one-tangle, two-tangle, and Quantum Fisher Information. We also discuss practical experimental considerations, and give three examples of extracting entanglement witnesses from experimental data: Copper Nitrate, KCuF3, and NiPS3.

cond-mat.str-el

Reconstructing the spatial structure of quantum correlations in materials

Quantum correlations are a fundamental property of quantum many-body states. Yet they remain experimentally elusive, hindering certification of genuine quantum behavior, especially in quantum materials. Here we show that the momentum-dependent dynamical susceptibility measured via inelastic neutron scattering enables the systematic reconstruction of a general family of quantum correlation functions, which express the degree of quantum coherence in the fluctuations of two spins at arbitrary mutual distance. Using neutron scattering data on the compound KCuF$_3$ $\unicode{x2014}$ a system of weakly coupled $S=1/2$ Heisenberg chains $\unicode{x2014}$ and of numerically exact quantum Monte Carlo data, we show that quantum correlations possess a radically different spatial structure with respect to conventional correlations. Indeed, they exhibit a new emergent length scale $\unicode{x2014}$ the quantum coherence length $\unicode{x2014}$ which is finite at any finite temperature (including when long-range magnetic order develops). Moreover, we show theoretically that coupled Heisenberg spin chains exhibit a form of quantum monogamy, with a trade-off between quantum correlations along and transverse to the spin chains. These results highlight real-space quantum correlators as an informative, model-independent means of probing the underlying quantum state of real quantum materials.

cond-mat.str-el

Witnessing Entanglement and Quantum Correlations in Condensed Matter: A Review

The detection and certification of entanglement and quantum correlations in materials is of fundamental and far-reaching importance, and has seen significant recent progress. It impacts both our understanding of the basic science of quantum many-body phenomena as well as the identification of systems suitable for novel technologies. Frameworks suitable to condensed matter that connect measurements to entanglement and coherence have been developed in the context of quantum information theory. These take the form of entanglement witnesses and quantum correlation measures. The underlying theory of these quantities, their relation to condensed matter experimental techniques, and their application to real materials are comprehensively reviewed. In addition, their usage in e.g. protocols, the relative advantages and disadvantages of witnesses and measures, and future prospects in, e.g., correlated electrons, entanglement dynamics, and entangled spectroscopic probes, are presented. Consideration is given to the interdisciplinary nature of this emerging research and substantial ongoing progress by providing an accessible and practical treatment from fundamentals to application. Particular emphasis is placed on quantities accessible to collective measurements, including by susceptibility and spectroscopic techniques. This includes the magnetic susceptibility witness, one-tangle, concurrence and two-tangle, two-site quantum discord, and quantum coherence measures such as the quantum Fisher information.

quant-ph

Experimental Evidence for Non-spherical Magnetic Form Factor in Ru$^{3+}$

The Mott insulator $α$-RuCl$_3$ has generated great interest in the community due to its possible field-induced Kitaev quantum spin liquid state. Despite enormous effort spent trying to obtain the form of the low energy Hamiltonian, there is currently no agreed upon set of parameters which is able to explain all of the data. A key piece of missing information lies in the determination of the magnetic form factor of Ru$^{3+}$, particularly for a true quantitative treatment of inelastic neutron scattering data. Here we present the experimentally derived magnetic form factor of Ru$^{3+}$ in the low spin 4$d^5$ state using polarized neutron diffraction within the paramagnetic regime on high quality single crystals of $α$-RuCl$_3$. We observe strong evidence of an anisotropic form factor, expected of the spin-orbit coupled $j_{\textrm{eff}} = \frac{1}{2}$ ground state. We model the static magnetization density in increasing complexity from simple isotropic cases, to a multipolar expansion, and finally \emph{ab initio} calculations of the generalized $j_{\textrm{eff}} = \frac{1}{2}$ ground state. Comparison of both single ion models and inclusion of Cl$^-$ anions support the presence of hybridization of Ru$^{3+}$ with the surrounding Cl$^{-}$ ligands.

cond-mat.str-el

Continuous spin excitations in the three-dimensional frustrated magnet K2Ni2(SO4)3

Continuous spin excitations are widely recognized as one of the hallmarks of novel spin states in quantum magnets, such as quantum spin liquids (QSLs). Here, we report the observation of such kind of excitations in K2Ni2(SO4)3, which consists of two sets of intersected spin-1 Ni2+ trillium lattices. Our inelastic neutron scattering measurement on single crystals clearly shows a dominant excitation continuum, which exhibits a distinct temperature-dependent behavior from that of spin waves, and is rooted in strong quantum spin fluctuations. Further using the self-consistent-gaussian-approximation method, we determined the fourth- and fifth-nearest neighbor exchange interactions are dominant. These two bonds together form a unique three-dimensional network of corner-sharing tetrahedra, which we name as ''hyper-trillium'' lattice. Our results provide direct evidence for the existence of QSL features in K2Ni2(SO4)3 and highlight the potential for the hyper-trillium lattice to host frustrated quantum magnetism.

cond-mat.str-el

Multipartite entanglement in the 1-D spin-$\frac{1}{2}$ Heisenberg Antiferromagnet

Multipartite entanglement refers to the simultaneous entanglement between multiple subsystems of a many-body quantum system. While multipartite entanglement can be difficult to quantify analytically, it is known that it can be witnessed through the Quantum Fisher information (QFI), a quantity that can also be related to dynamical Kubo response functions. In this work, we first show that the finite temperature QFI can generally be expressed in terms of a static structure factor of the system, plus a correction that vanishes as $T\rightarrow 0$. We argue that this implies that the static structure factor witnesses multipartite entanglement near quantum critical points at temperatures below a characteristic energy scale that is determined by universal properties, up to a non-universal amplitude. Therefore, in systems with a known static structure factor, we can deduce finite temperature scaling of multipartite entanglement and low temperature entanglement depth without knowledge of the full dynamical response function of the system. This is particularly useful to study 1D quantum critical systems in which sub-power-law divergences can dominate entanglement growth, where the conventional scaling theory of the QFI breaks down. The 1D spin-$\frac{1}{2}$ antiferromagnetic Heisenberg model is an important example of such a system, and we show that multipartite entanglement in the Heisenberg chain diverges non-trivially as $\sim \log(1/T)^{3/2}$. We verify these predictions with calculations of the QFI using conformal field theory and matrix product state simulations. Finally we discuss the implications of our results for experiments to probe entanglement in quantum materials, comparing to neutron scattering data in KCuF$_3$, a material well-described by the Heisenberg chain.

quant-ph

Dynamical fractal and anomalous noise in a clean magnetic crystal

Fractals -- objects with non-integer dimensions -- occur in manifold settings and length scales in nature, ranging from snowflakes and lightning strikes to natural coastlines. Much effort has been expended to generate fractals for use in many-body physics. Here, we identify an emergent dynamical fractal in a disorder-free, stoichiometric three-dimensional magnetic crystal in thermodynamic equilibrium. The phenomenon is born from constraints on the dynamics of the magnetic monopole excitations in spin ice, which restrict them to move on the fractal. This observation explains the anomalous exponent found in magnetic noise experiments in the spin ice compound Dy$_2$Ti$_2$O$_7$, and it resolves a long standing puzzle about its rapidly diverging relaxation time. The capacity of spin ice to exhibit such striking phenomena holds promise of further surprising discoveries in the cooperative dynamics of even simple topological many-body systems.

cond-mat.str-el

Structural magnetic glassiness in spin ice Dy$_2$Ti$_2$O$_7$

The spin ice compound Dy$_2$Ti$_2$O$_7$ is well-known to realise a three-dimensional Coulomb spin liquid with magnetically charged monopole excitations. Its fate at low temperatures, however, remains an intriguing open question. Based on a low-temperature analysis of the magnetic noise and diffuse neutron scattering under different cooling protocols, combined with extensive numerical modelling, we argue that upon cooling, the spins freeze into what may be termed a `structural magnetic glass', without an a priori need for chemical or structural disorder. Specifically, our model indicates the presence of frustration on two levels, first producing a near-degenerate constrained manifold inside which phase ordering kinetics is in turn frustrated. Our results suggest that spin ice Dy$_2$Ti$_2$O$_7$ provides one prototype of magnetic glass formation specifically, and a setting for the study of kinetically constrained systems more generally.

cond-mat.str-el

Magnetic excitations, non-classicality and quantum wake spin dynamics in the Hubbard chain

Recent work has demonstrated that quantum Fisher information (QFI), a witness of multipartite entanglement, and magnetic Van Hove correlations $G(r,t)$, a probe of local real-space real-time spin dynamics, can be successfully extracted from inelastic neutron scattering on spin systems through accurate measurements of the dynamical spin structure factor $S(k,ω)$. Here we apply theoretically these ideas to the half-filled Hubbard chain with nearest-neighbor hopping, away from the strong-coupling limit. This model has nontrivial redistribution of spectral weight in $S(k,ω)$ going from the non-interacting limit ($U=0$) to strong coupling ($U\rightarrow \infty$), where it reduces to the Heisenberg quantum spin chain. We use the density matrix renormalization group (DMRG) to find $S(k,ω)$, from which QFI is then calculated. We find that QFI grows with $U$. With realistic energy resolution it becomes capable of witnessing bipartite entanglement above $U=2.5$ (in units of the hopping), where it also changes slope. This point is also proximate to slope changes of the bandwidth $W(U)$ and the half-chain von Neumann entanglement entropy. We compute $G(r,t)$ by Fourier-transforming $S(k,ω)$. The results indicate a crossover in the short-time short-distance dynamics at low $U$ characterized by ferromagnetic lightcone wavefronts, to a Heisenberg-like behavior at large $U$ featuring antiferromagnetic lightcones and spatially period-doubled antiferromagnetism. We find this crossover has largely been completed by $U=3$. Our results thus provide evidence that, in several aspects, the strong-coupling limit of the Hubbard chain is reached qualitatively already at a relatively modest interaction strength. We discuss experimental candidates for observing the $G(r,t)$ dynamics found at low $U$.

cond-mat.str-el

Hidden local symmetry breaking in a kagome-lattice magnetic Weyl semimetal

Exploring the relationship between intriguing physical properties and structural complexity is a central topic in studying modern functional materials. Co$_{3}$Sn$_{2}$S$_{2}$, a new discovered kagome-lattice magnetic Weyl semimetal, has triggered intense interest owing to the intimate coupling between topological semimetallic states and peculiar magnetic properties. However, the origins of the magnetic phase separation and spin glass state below $T_{C}$ in this ordered compound are two unresolved yet important puzzles in understanding its magnetism. Here, we report the discovery of local symmetry breaking surprisingly co-emerges with the onset of ferromagnetic order in Co$_{3}$Sn$_{2}$S$_{2}$, by a combined use of neutron total scattering and half polarized neutron diffraction. The mismatch of local and average symmetries occurs below $T_{C}$, indicating that Co$_{3}$Sn$_{2}$S$_{2}$ evolves to an intrinsically lattice disordered system when the ferromagnetic order is established. The local symmetry breaking with intrinsic lattice disorder provides new understandings to the puzzling magnetic properties. Our density function theory calculation indicates that the local symmetry breaking is expected to reorient local ferromagnetic moments, unveiling the existence of the ferromagnetic instability associated with the lattice instability. Furthermore, DFT calculation unveils that the local symmetry breaking could affect the Weyl property by breaking mirror plane. Our findings highlight the fundamentally important role that the local symmetry breaking plays in advancing our understanding on the magnetic and topological properties in Co$_{3}$Sn$_{2}$S$_{2}$, which may draw the attention to explore the overlooked local symmetry breaking in Co$_{3}$Sn$_{2}$S$_{2}$, its derivatives, and more broadly in other topological Dirac/Weyl semimetals and kagome-lattice magnets.

cond-mat.str-el

Extraction of the interaction parameters for $α-$RuCl$_3$ from neutron data using machine learning

Single crystal inelastic neutron scattering data contain rich information about the structure and dynamics of a material. Yet the challenge of matching sophisticated theoretical models with large data volumes is compounded by computational complexity and the ill-posed nature of the inverse scattering problem. Here we utilize a novel machine-learning-assisted framework featuring multiple neural network architectures to address this via high-dimensional modeling and numerical methods. A comprehensive data set of diffraction and inelastic neutron scattering measured on the Kitaev material $α-$RuCl$_3$ is processed to extract its Hamiltonian. Semiclassical Landau-Lifshitz dynamics and Monte-Carlo simulations were employed to explore the parameter space of an extended Kitaev-Heisenberg Hamiltonian. A machine-learning-assisted iterative algorithm was developed to map the uncertainty manifold to match experimental data; a non-linear autoencoder used to undertake information compression; and Radial Basis networks utilized as fast surrogates for diffraction and dynamics simulations to predict potential spin Hamiltonians with uncertainty. Exact diagonalization calculations were employed to assess the impact of quantum fluctuations on the selected parameters around the best prediction.

cond-mat.str-el

Quantum wake dynamics in Heisenberg antiferromagnetic chains

Traditional spectroscopy, by its very nature, characterizes properties of physical systems in the momentum and frequency domains. The most interesting and potentially practically useful quantum many-body effects however emerge from the deep composition of local, short-time correlations. Here, using inelastic neutron scattering and methods of integrability, we experimentally observe and theoretically describe a local, coherent, long-lived, quasiperiodically oscillating magnetic state emerging out of the distillation of propagating excitations following a local quantum quench in a Heisenberg antiferromagnetic chain. This "quantum wake" displays similarities to Floquet states, discrete time crystals and nonlinear Luttinger liquids.

cond-mat.str-el