arXiv subjects

A. Scheie

Publications and source records attributed to A. Scheie.

At least 19 recordsLinked to original sources

arXiv2026

Incommensurate spin fluctuations in one-dimensional Kondo metal CeCo2Ga8

We present an experimental and numerical study of the spin fluctuations in 1D Kondo metal CeCo$_2$Ga$_8$. Using inelastic neutron spectroscopy, we measure highly one-dimensional magnetism with low-energy incommensurate short-ranged magnetic fluctuations. ARPES similarly shows a highly one-dimensional electronic band structure, confirming the one-dimensional nature of the system. We use density matrix renormalization group (DMRG) simulations of the 1D Kondo lattice model to interpret the measured spectrum, which successfully reproduce the neutron scattering features. We are thus able to place CeCo$_2$Ga$_8$ within the emergent incommensurate phase of the 1D Kondo lattice phase diagram, and demonstrate that the Kondo lattice simulated non-perturbatively is an accurate microscopic model for heavy fermion physics. This shows CeCo$_2$Ga$_8$ to be one-dimensional despite its complexities, and reveals a coexistence of low-energy Kondo and magnetic features in its inelastic spectrum.

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arXiv2026

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.

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arXiv2025

Cooper-Pair Localization in the Magnetic Dynamics of a Cuprate Ladder

We investigate the spin dynamics of the cuprate ladder Sr$_{2.5}$Ca$_{11.5}$Cu$_{24}$O$_{41}$ to elucidate the behavior of its intrinsically doped holes. Combining high-resolution neutron spectroscopy and density matrix renormalization group calculations enables a comprehensive analysis of the collective magnetic dynamics. We find a general absence of magnetic signatures from unpaired charges, indicating holes within the system form strongly bound localized Cooper pairs. A one-band Hubbard model fails to match the spectral features but a straightforward extension to a large attractive nearest-neighbor interaction quantitatively explains our results. Our finding shows the significance of additional interactions beyond the long-predicted quantum spin pairing in the ($d$-wave) charge pairing process. Considering the parallels between ladders and two-dimensional cuprates, these results are potentially relevant for square lattices as well.

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arXiv2024

Excess heat capacity in magnetically ordered Ce heavy fermion metals

We study the magnetic heat capacity of a series of magnetically ordered Ce-based heavy fermion materials, which show an anomalous $T^3$ heat capacity in excess of the phonon contribution in many materials. For compounds for which magnon models have been worked out, we show that the local-moment magnon heat capacity derived from the measured magnon spectra underestimates the experimental specific heat. The excess heat capacity reveals increasing density of states with increasing energy, akin to a pseudogap. We show that this anomalous temperature-dependent term is not associated with proximity to a quantum critical point (QCP), but is strongly correlated with $T_N$, indicating the anomalous excitations are governed by the magnetic exchange interaction. This insight may hold key information for understanding magnetically ordered heavy fermions.

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arXiv2023

Spin wave Hamiltonian and anomalous scattering in NiPS$_3$

We report a comprehensive spin wave analysis of the semiconducting honeycomb van der Waal antiferromagnet NiPS$_3$. Using single crystal inelastic neutron scattering, we map out the full Brillouin zone and fit the observed modes to a spin wave model with rigorously defined uncertainty. We find that the third neighbor exchange $J_3$ dominates the Hamiltonian, a feature which we fully account for by ab-initio density functional theory calculations. We also quantify the degree to which the three-fold rotation symmetry is broken and account for the $Q=0$ excitations observed in other measurements, yielding a spin exchange model which is consistent across multiple experimental probes. We also identify a strongly reduced static ordered moment and reduced low-energy intensity relative to the linear spin wave calculations, signaling unexplained features in the magnetism which requires going beyond the linear spin wave approximation.

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arXiv2022

Spin waves and magnetic exchange Hamiltonian in CrSBr

CrSBr is an air-stable 2D van der Waals semiconducting magnet with great technological promise, but its atomic-scale magnetic interactions -- crucial information for high-frequency switching -- are poorly understood. We present an experimental study to determine the CrSBr magnetic exchange Hamiltonian and bulk magnon spectrum. We confirm the $A$-type antiferromagnetic order using single crystal neutron diffraction. We also measure the magnon dispersions using inelastic neutron scattering and rigorously fit the excitation modes to a spin wave model. The magnon spectrum is well described by an intra-plane ferromagnetic Heisenberg exchange model with seven nearest in-plane exchanges. This fitted exchange Hamiltonian enables theoretical predictions of CrSBr behavior: as one example, we use the fitted Hamiltonian to predict the presence of chiral magnon edge modes with a spin-orbit enhanced CrSBr heterostructure.

cond-mat.mtrl-sci↗

arXiv2021

Beyond magnons in Nd2ScNbO7: An Ising pyrochlore antiferromagnet with all in all out order and random fields

We report the low temperature magnetic properties of Nd$^{3+}$ pyrochlore $\rm Nd_2ScNbO_7$. Susceptibility and magnetization show an easy-axis moment, and heat capacity reveals a phase transition to long range order at $T_N=371(2)$ mK with a fully recovered $\Delta S = R \ln(2)$, 53\% of it recovered for $T>T_N$. Elastic neutron scattering shows a long-range all-in-all-out magnetic order with low-$Q$ diffuse elastic scattering. Inelastic neutron scattering shows a low-energy flat-band, indicating a magnetic Hamiltonian similar to $\rm Nd_2Zr_2O_7$. Nuclear hyperfine excitations measured by ultra-high-resolution neutron backscattering indicates a distribution of static electronic moments below $T_N$, which may be due to B-site disorder influencing Nd crystal electric fields. Analysis of heat capacity data shows an unexpected $T$-linear or $T^{3/2}$ term which is inconsistent with conventional magnon quasiparticles, but is consistent with fractionalized spinons or gapless local spin excitations. We use legacy data to show similar behavior in $\rm Nd_2Zr_2O_7$. Comparing local static moments also reveals a suppression of the nuclear Schottky anomaly in temperature, evidencing a fraction of Nd sites with nearly zero static moment, consistent with exchange-disorder-induced random singlet formation. Taken together, these measurements suggest an unusual fluctuating magnetic ground state which mimics a spin-liquid -- but may not actually be one.

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arXiv2021

Witnessing entanglement in quantum magnets using neutron scattering

We demonstrate how quantum entanglement can be directly witnessed in the quasi-1D Heisenberg antiferromagnet KCuF$_3$. We apply three entanglement witnesses --- one-tangle, two-tangle, and quantum Fisher information --- to its inelastic neutron spectrum, and compare with spectra simulated by finite-temperature density matrix renormalization group (DMRG) and classical Monte Carlo methods. We find that each witness provides direct access to entanglement. Of these, quantum Fisher information is the most robust experimentally, and indicates the presence of at least bipartite entanglement up to at least 50 K, corresponding to around 10% of the spinon zone-boundary energy. We apply quantum Fisher information to higher spin-S Heisenberg chains, and show theoretically that the witnessable entanglement gets suppressed to lower temperatures as the quantum number increases. Finally, we outline how these results can be applied to higher dimensional quantum materials to witness and quantify entanglement.

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arXiv2020

Detection of Kardar-Parisi-Zhang hydrodynamics in a quantum Heisenberg spin-$1/2$ chain

Classical hydrodynamics is a remarkably versatile description of the coarse-grained behavior of many-particle systems once local equilibrium has been established. The form of the hydrodynamical equations is determined primarily by the conserved quantities present in a system. Some quantum spin chains are known to possess, even in the simplest cases, a greatly expanded set of conservation laws, and recent work suggests that these laws strongly modify collective spin dynamics even at high temperature. Here, by probing the dynamical exponent of the one-dimensional Heisenberg antiferromagnet KCuF$_3$ with neutron scattering, we find evidence that the spin dynamics are well described by the dynamical exponent $z=3/2$, which is consistent with the recent theoretical conjecture that the dynamics of this quantum system are described by the Kardar-Parisi-Zhang universality class. This observation shows that low-energy inelastic neutron scattering at moderate temperatures can reveal the details of emergent quantum fluid properties like those arising in non-Fermi liquids in higher dimensions.

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arXiv2020

Crystal field Hamiltonian and anisotropy in KErSe2 and CsErSe2

We use neutron scattering and bulk property measurements to determine the single-ion crystal-field Hamiltonians of delafossites $\rm KErSe_2$ and $\rm CsErSe_2$. These two systems contains planar equilateral triangular Er lattices arranged in two stacking variants: rhombohedral (for K) or hexagonal (Cs). Our analysis shows that regardless the stacking order both compound exhibit an easy-plane ground state doublet with large $J_z=1/2$ terms and the potential for significant quantum effects, making them candidates for quantum spin liquid or other exotic ground states.

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arXiv2019

Orientation Dependence of the Magnetic Phase Diagram of Yb$_2$Ti$_2$O$_7$

In the quest to realize a quantum spin liquid (QSL), magnetic long-range order is hardly welcome. Yet it can offer deep insights into a complex world of strong correlations and fluctuations. Much hope was placed in the cubic pyrochlore Yb$_2$Ti$_2$O$_7$ as a putative U(1) QSL but a new class of ultra-pure single crystals make it abundantly clear the stoichiometric compound is a ferromagnet. Here we present a detailed experimental and theoretical study of the corresponding field-temperature phase diagram. We find it to be richly anisotropic with a critical endpoint for $\vec{B}\,\parallel\,\langle 100\rangle$, while field parallel to $\langle 110 \rangle$ and $\langle 111 \rangle$ enhances the critical temperature by up to a factor of two and shifts the onset of the field-polarized state to finite fields. Landau theory shows that Yb$_2$Ti$_2$O$_7$ in some ways is remarkably similar to pure iron. However, it also pinpoints anomalies that cannot be accounted for at the classical mean-field level including a dramatic enhancement of $T_{\mathrm{C}}$ and reentrant phase boundary by fields with a component transverse to the easy axes, as well as the anisotropy of the upper critical field in the quantum limit.

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arXiv2019

Multiphase Magnetism in Yb2Ti2O7

We document the coexistence of ferro- and anti-ferromagnetism in pyrochlore $\rm Yb_2Ti_2O_7$ using three neutron scattering techniques on stoichiometric crystals: elastic neutron scattering shows a canted ferromagnetic ground state, neutron scattering shows spin wave excitations from both a ferro-and an antiferro-magnetic state, and field and temperature dependent small angle neutron scattering reveals the corresponding anisotropic magnetic domain structure. High-field $\langle 111 \rangle$ spin wave fits show that $\rm Yb_2Ti_2O_7$ is extremely close to an antiferromagnetic phase boundary. Classical Monte Carlo simulations based on the interactions inferrred from high field spin wave measurements confirm $\psi_2$ antiferromagnetism is metastable within the FM ground state.

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arXiv2019

Evidence for a Parity Broken Monoclinic Ground State in the S = 1/2 Kagom\'{e} Antiferromagnet Herbertsmithite

Nearest-neighbor interacting S = 1/2 spins on the ideal Kagom\'{e} lattice are predicted to form a variety of novel quantum entangled states, including quantum spin-liquid (SL) and valence bond solid (VBS) phases. In real materials, the presence of additional perturbative spin interactions may further expand the variety of entangled states, which recent theoretical analyses show are identifiable through the spontaneous loss of particular discrete point group symmetries. Here we comprehensively resolve the ground state point group symmetries of the prototypical Kagom\'{e} SL candidate ZnCu$_3$(OH)$_6$Cl$_2$ (Herbertsmithite) using a combination of optical ellipsometry and wavelength-dependent multi-harmonic optical polarimetry. We uncover a subtle parity breaking monoclinic structural distortion at a temperature above the nearest-neighbor exchange energy scale. Surprisingly, the parity-breaking order parameter is dramatically enhanced upon cooling and closely tracks the build-up of nearest-neighbor spin correlations, suggesting that it is energetically favored by the SL state. The refined low temperature symmetry group greatly restricts the number of viable ground states, and, in the perturbative limit, points toward the formation of a nematic $Z_2$ striped SL ground state - a SL analogue of a liquid crystal.

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arXiv2019

Homogenous reduced moment in a gapful scalar chiral kagome antiferromagnet

We present present a quantitative experimental investigation of the scalar chiral magnetic order with in $\rm{Nd_3Sb_3Mg_2O_{14}}$. Static magnetization reveals a net ferromagnetic ground state, and inelastic neutron scattering from the hyperfine coupled nuclear spin reveals a local ordered moment of 1.76(6) $\mu_B$, just 61(2)% of the saturated moment size. The experiments exclude static disorder as the source of the reduced moment. A 38(1) $\mu$eV gap in the magnetic excitation spectrum inferred from heat capacity rules out thermal fluctuations and suggests a multipolar explanation for the moment reduction. We compare $\rm{Nd_3Sb_3Mg_2O_{14}}$ to Nd pyrochlores and show that it is close to a moment fragmented state.

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arXiv2018

Synthesis, crystal growth and characterization of the pyrochlore Er2Ti2O7

Pyrochlore erbium titanate samples in the form of powders (with nominal compositions of Er2Ti2+xO7) and bulk single crystals were prepared to elucidate the effect of synthesis and growth conditions on their composition, structure, and transition temperature. All samples were characterized using X-ray diffraction and specific heat measurements. Larger lattice parameters were measured for the Ti-deficient stuffed powders, Er2(Ti2-xErx)O7-{\delta}, while Ti-rich anti-stuffed powders, (Er2-xTix)Ti2O7+{\delta}, showed a decrease in lattice parameter. The lattice parameter for the stoichiometrically synthesized powder, Er2Ti2O7, was measured to be a = 10.07522(9) {\AA}. Single crystals grown by the conventional floating zone (FZ) technique were Ti deficient (stuffed) and darker in color due to oxygen vacancies. Using the traveling solvent floating zone (TSFZ), a high structural quality, transparent and stoichiometric Er2Ti2O7 single crystal was grown at a lower temperature using the TiO2 solvent. Heat capacity measurements of the TSFZ grown Er2Ti2O7 crystal and stoichiometric powder exhibited a very close magnetic transition temperature TC ~1.23K that was suppressed in off-stoichiometric samples, demonstrating correlations between stoichiometry and ground state magnetism in Er2Ti2O7.

cond-mat.mtrl-sci↗

arXiv2018

Crystal Field Levels and Magnetic Anisotropy in the Kagome Compounds $\rm{Nd_3Sb_3Mg_2O_{14}}$, $\rm{Nd_3Sb_3Zn_2O_{14}}$, and $\rm{Pr_3Sb_3Mg_2O_{14}}$

We report the crystal field levels of several newly-discovered rare-earth kagome compounds: $\rm{Nd_3Sb_3Mg_2O_{14}}$, $\rm{Nd_3Sb_3Zn_2O_{14}}$, and $\rm{Pr_3Sb_3Mg_2O_{14}}$. We determine the CEF Hamiltonian by fitting to neutron scattering data using a point-charge Hamiltonian as an intermediate fitting step. The fitted Hamiltonians accurately reproduce bulk susceptibility measurements, and the results indicate easy-axis ground state doublets for $\rm{Nd_3Sb_3Mg_2O_{14}}$ and $\rm{Nd_3Sb_3Zn_2O_{14}}$, and a singlet ground state for $\rm{Pr_3Sb_3Mg_2O_{14}}$. These results provide the groundwork for future investigations of these compounds and a template for CEF analysis of other low-symmetry materials.

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arXiv2018

Counterroating incommensurate magnetic order and strong quantum fluctuations in the honeycomb layers of $\rm NaNi_2BiO_6$

We report the magnetic structure and electronic properties of the honeycomb antiferromagnet $\rm NaNi_2BiO_{5.66}$. We find magnetic order with moments along the $c$ axis for temperatures below $T_{c1}=6.3(1)\>{\rm K}$ and then in the honeycomb plane for $T < T_{c2}=4.8(1)\>{\rm K}$ with a counterrotating pattern and an ordering wave vector ${\bf q}=(\frac{1}{3},\> \frac{1}{3},\> 0.15(1))$. Density functional theory and electron spin resonance indicate this is high-spin Ni$^{3+}$ magnetism near a high to low spin transition. The ordering wave vector, in-plane magnetic correlations, missing entropy, spin state, and superexchange pathways are all consistent with bond-dependent Kitaev-$\Gamma$-Heisenberg exchange interactions in $\rm NaNi_2BiO_{6-\delta}$.

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arXiv2017

Continuum of quantum fluctuations in a three-dimensional $S\!=\!1$ Heisenberg magnet

Conventional crystalline magnets are characterized by symmetry breaking and normal modes of excitation called magnons with quantized angular momentum $\hbar$. Neutron scattering correspondingly features extra magnetic Bragg diffraction at low temperatures and dispersive inelastic scattering associated with single magnon creation and annihilation. Exceptions are anticipated in so-called quantum spin liquids as exemplified by the one-dimensional spin-1/2 chain which has no magnetic order and where magnons accordingly fractionalize into spinons with angular momentum $\hbar/2$. This is spectacularly revealed by a continuum of inelastic neutron scattering associated with two-spinon processes and the absence of magnetic Bragg diffraction. Here, we report evidence for these same key features of a quantum spin liquid in the three-dimensional Heisenberg antiferromagnet NaCaNi$_2$F$_7$. Through specific heat and neutron scattering measurements, Monte Carlo simulations, and analytic approximations to the equal time correlations, we show that NaCaNi$_2$F$_7$ is an almost ideal realization of the spin-1 antiferromagnetic Heisenberg model on a pyrochlore lattice with weak connectivity and frustrated interactions. Magnetic Bragg diffraction is absent and 90\% of the spectral weight forms a continuum of magnetic scattering not dissimilar to that of the spin-1/2 chain but with low energy pinch points indicating NaCaNi$_2$F$_7$ is in a Coulomb phase. The residual entropy and diffuse elastic scattering points to an exotic state of matter driven by frustration, quantum fluctuations and weak exchange disorder.

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