arXiv subjects

Jeffrey G. Rau

Publications and source records attributed to Jeffrey G. Rau.

At least 19 recordsLinked to original sources

arXiv2026

Finite-Size Spectral Signatures of Order by Quantum Disorder: A Perspective from Anderson's Tower of States

In frustrated magnetic systems with a subextensive number of classical ground states, quantum zero-point fluctuations can select a unique long-range ordered state, a celebrated phenomenon referred to as \emph{order by quantum disorder} (ObQD). For frustrated spin-$\frac{1}{2}$ models, unbiased numerical methods able to expose ObQD are necessary. We show that ObQD can be identified from exact diagonalization (ED) calculations through an analysis akin to the Anderson tower of states associated with spontaneous symmetry breaking. By defining an effective quantum rotor model, we describe the competition between ObQD-induced localization of the rotor and its tunneling between symmetry-related ground states, identifying the crossover lengthscale from the finite-size regime where the rotor is delocalized, to the infinite system-size limit where it becomes localized. This rotor model relates the characteristic splittings in the ED energy spectrum to the ObQD selection energy scale, providing an estimate that can be compared to spin wave calculations. We demonstrate the general applicability of this approach in one-, two- and three-dimensional frustrated spin models that exhibit ObQD.

cond-mat.str-el↗

arXiv2026

Classical Kitaev model in a magnetic field

Motivated by experiments on spin-orbit coupled magnets with Kitaev exchange in magnetic fields, we present an analysis of the classical Kitaev honeycomb model in the presence of a magnetic field. We show that there is a spin liquid regime that exists within a finite window of fields from zero up to a finite threshold before transitioning into the polarized paramagnet. We uncover constraints that spins need to satisfy in the ground state and show that they determine the exact limiting zero temperature behavior of the heat capacity and magnetic susceptibility within the spin liquid as a function of field. When the field is finite, both the two-point spin and the quadrupolar correlations are short-ranged, in contrast to the zero-field case. We rationalize an effective mass for the quadrupolar correlations in terms of a coarse-grained theory with fluctuating effective charge degrees of freedom. Finally, we show that weak site-dilution does not change the magnetization within the spin liquid -- a kind of "perfect" compensation of the site dilution.

cond-mat.str-el↗

arXiv2025

Intrinsic quantum disorder in Yb2Ti2O7 and the quantum S=1/2 pyrochlore phase diagram

We present an experimental and theoretical study of the anisotropic pyrochlore phase diagram. Inelastic field-dependent neutron scattering on Yb$_2$Ti$_2$O$_7$ shows intrinsic broadening and a flat low-energy magnon mode which is partially captured by interacting magnon models. Exact diagonalization reveals the existence of an emergent quantum phase between ferromagnetism and antiferromagnetism, in which Yb$_2$Ti$_2$O$_7$ Hamiltonian potentially resides. This behavior matches the phenomenology of quantum criticality in heavy fermion systems, and shows Yb$_2$Ti$_2$O$_7$ is a clean system which can be field-tuned from well-defined magnons to a nontrivial quantum ground state. This suggests that quantum criticality is a generic feature of the dipolar phase diagram.

cond-mat.str-el↗

arXiv2025

Altermagnetism revealed by polarized neutrons in MnF$_2$

Motivated by possible spintronics applications in antiferromagnets, it was recently observed that symmetry admits magnets that combine attractive features of both ferromagnets and antiferromagnets. These systems, dubbed altermagnets, have been the subject of intense study with direct spectroscopic evidence, from ARPES and RIXS, techniques reported in a handful of materials in the last year. Inelastic neutron scattering (INS) is one of the most powerful direct probes of magnetism and has recently been used to witness a splitting of magnon bands in MnTe that is compatible with altermagnetism although the nature and origin of the splitting remain to be fully characterized. However, the full power of neutron scattering for such systems comes from using polarized neutrons to measure the chirality of the magnon bands. Such a measurement provides a direct characterization of altermagnetism directly from the spin wave excitations. In this article, we present results on MnF$_2$ once thought to be an archetypal antiferromagnet. We present a polarized INS data that demonstrate the material is, in fact, altermagnetic. It had long been realized that the magnon bands in this material should have a weak splitting coming from the long-range dipolar coupling. Our data is the first to visualize this splitting directly. While the dipolar splitting on its own is not altermagnetic, using a domain biased sample, the data reveals a nonzero chirality in the neutron scattering cross section that reverses sign between the two magnon modes. It is this feature that clearly demonstrates altermagnetism in MnF$_2$. This finding highlights the potential for polarized INS to characterize altermagnets not least through its exquisite sensitivity to fine-structure in the magnon spectrum.

cond-mat.str-el↗

arXiv2025

Anharmonic Collective Oscillations in Isotropic Spin Systems and their Spectroscopic Signatures

Spin waves are the fundamental excitations in magnetically ordered spin systems and are ubiquitously observed in magnetic materials. However, the standard understanding of spin waves as collective spin oscillations in an effective harmonic potential does not consider the possibility of soft modes, such as those due to an effective quartic potential. In this work, we show that such quartic potentials arise under very general conditions in a broad class of isotropic spin systems without a fine-tuning of the interaction parameters. Considering models with spin spiral ground states in two and three spatial dimensions, we numerically demonstrate that quartic amplitude spin oscillations produce a fluctuation-induced spin-wave gap which grows with temperature according to a characteristic power-law. In conjunction with a phenomenological theory, the present work provides a general theoretical framework for describing soft spin modes, extending the previously discussed spin dynamics in the presence of order-by-disorder, and highlighting the important role of finite-size effects. Our predictions of a temperature-dependent gap in spiral spin systems could be tested in inelastic neutron scattering experiments, providing direct spectroscopic evidence for thermal effects arising from soft spin modes in magnetic materials.

cond-mat.str-el↗

arXiv2025

Collinear Altermagnets and their Landau Theories

Altermagnets exhibit spontaneously spin-split electronic bands in the zero spin-orbit coupling (SOC) limit arising from the presence of collinear compensated magnetic order. The distinctive magneto-crystalline symmetries of altermagnets ensure that these spin splittings have a characteristic anisotropy in crystal momentum space. These systems have attracted a great deal of interest due to their potential for applications in spintronics. In this paper, we provide a general Landau theory that encompasses all three-dimensional altermagnets where the magnetic order does not enlarge the unit cell. We identify all crystal structures that admit altermagnetism and then reduce these to a relatively small set of distinct possible Landau theories governing such systems. In the zero SOC limit, we determine the possible local multipolar orders that are tied to the spin splitting of the band structure. We make precise the connection between altermagnetism as defined at zero SOC ("ideal" altermagnets) and the effects of weak SOC. In particular, we examine which response functions allowed by symmetry when SOC is present are guaranteed by the spin-orbit free theory, and spell out the distinctive properties of altermagnets in comparison with conventional collinear antiferromagnets. Finally, we show how these ideas can be applied by considering a number of altermagnetic candidate materials.

cond-mat.str-el↗

arXiv2025

Universal temperature-dependent power law excitation gaps in frustrated quantum spin systems harboring order-by-disorder

When magnetic moments are subject to competing or frustrated interactions, continuous degeneracies that are not protected by any symmetry of the parent Hamiltonian can emerge at the classical (mean-field) level. Such "accidental" degeneracies are often lifted by both thermal and quantum fluctuations via a mechanism known as order-by-disorder (ObD). The leading proposal to detect and characterize ObD in real materials, in a way that quantitatively distinguishes it from standard energetic selection, is to measure a small fluctuation-induced pseudo-Goldstone gap in the excitation spectrum. While the properties of this gap are known to leading order in the spin wave interactions, in both the zero-temperature and classical limits, the pseudo-Goldstone (PG) gap in quantum magnets at finite temperature has yet to be characterized. Using non-linear spin wave theory, we compute the PG gap to leading order in a $1/S$ expansion at low temperature for a variety of frustrated quantum spin systems. We also develop a formalism to calculate the PG gap in a way that solely uses linear spin-wave theory, circumventing the need to carry out tedious quantum many-body calculations. We argue that, at leading order, the PG gap acquires a distinct power-law temperature dependence, proportional to either $T^{d+1}$ or $T^{d/2+1}$ depending on the gapless dispersion of the PG mode predicted at the mean-field level. Finally, we examine the implications of these results for the pyrochlore oxide compound Er$_2$Ti$_2$O$_7$, for which there is compelling evidence of ObD giving rise to the experimentally observed long-range order.

cond-mat.str-el↗

arXiv2025

Magnon Spectra of Cuprates beyond Spin Wave Theory

The usual starting point for understanding magnons in cuprate antiferromagnets such as La$_2$CuO$_4$ is a spin model incorporating cyclic exchange, which descends from a one-band Hubbard model, and has parameters taken from fits based on non-interacting spin wave theory. Here we explore whether this provides a reliable description of experiment, using matrix product states (MPS) to calculate magnon spectra beyond spin wave theory. We find that analysis based on low orders of spin wave theory leads to systematic overestimates of exchange parameters, with corresponding errors in estimates of Hubbard $t/U$. Once these are corrected, the ''standard'' model provides a good account of magnon dispersion and lineshape in La$_2$CuO$_4$, but fails to fully capture the continuum observed at high energies. The extension of this analysis to CaCuO$_2$ and Sr$_2$IrO$_4$ is also discussed.

cond-mat.str-el↗

arXiv2024

Synthesis and characterization of the novel breathing pyrochlore compound Ba3Tm2Zn5O11

In this study, a novel material from the rare-earth based breathing pyrochlore family, Ba3Tm2Zn5O11, was successfully synthesized. Powder x-ray diffraction and high-resolution powder neutron diffraction confirmed phase purity and the F-43m breathing pyrochlore crystal structure, while thermogravimetric analysis revealed incongruent melting behavior compared to its counterpart, Ba3Yb2Zn5O11. High-quality single crystals of Ba3Tm2Zn5O11 were grown using the traveling solvent floating zone technique and assessed using Laue x-ray diffraction and single crystal x-ray diffraction. Thermodynamic characterization indicated paramagnetic behavior down to 0.05 K, and inelastic neutron scattering measurements identified distinct dispersionless crystal electric field energy bands, with the fitted crystal electric field model predicting a single-ion singlet ground state and an energy gap of ~9 meV separating it from the first excited (singlet) state. Additional low-energy excitation studies on single crystals revealed dispersionless bands at 0.8 and 1 meV. Computed phonon dispersions from first-principles calculations ruled out phonons as the origin of these modes, further illustrating the puzzling and unique properties of Ba3Tm2Zn5O11.

cond-mat.str-el↗

arXiv2024

Ground state properties of the Heisenberg-compass model on the square lattice

Compass models provide insights into the properties of Mott-insulating materials that host bond-dependent anisotropic interactions between their pseudospin degrees of freedom. In this article, we explore the classical and quantum ground state properties of one such model relevant to certain layered perovskite materials akin to Ba$_2$IrO$_4$ - namely, the Heisenberg-compass model on the square lattice. We first investigate the ground state phase diagram of this model using classical Monte Carlo simulations. These reveal that the low temperature classical phase diagram is divided into six different classes of long-range ordered phases, including four phases that exhibit an order by disorder selection and two phases that are stabilized energetically. This model admits a special duality transformation, known as the Klein duality, conveniently allowing to map one region of coupling parameters onto another and constraining the phase diagram, and which we exploit in our study. From the analysis of the zero-point energy and the free energy of the spin waves, we find that order by quantum disorder at zero temperature and order by thermal disorder select the same orderings as those found from classical Monte Carlo simulations. We further investigate the quantum ground states of this model using numerical exact diagonalization on small clusters by exploiting the translational symmetry of the square lattice. We obtain a ground state phase diagram bearing close resemblance to that found from the classical analysis.

cond-mat.str-el↗

arXiv2024

Pulling order back from the brink of disorder: Observation of a nodal line spin liquid and fluctuation stabilized order in K$_2$IrCl$_6$

Competing interactions in frustrated magnets can give rise to highly degenerate ground states from which correlated liquid-like states of matter often emerge. The scaling of this degeneracy influences the ultimate ground state, with extensive degeneracies potentially yielding quantum spin liquids, while sub-extensive or smaller degeneracies yield static orders. A longstanding problem is to understand how ordered states precipitate from this degenerate manifold and what echoes of the degeneracy survive ordering. Here, we use neutron scattering to experimentally demonstrate a new "nodal line" spin liquid, where spins collectively fluctuate within a sub-extensive manifold spanning one-dimensional lines in reciprocal space. Realized in the spin-orbit coupled, face-centered cubic iridate K$_2$IrCl$_6$, we show that the sub-extensive degeneracy is robust, but remains susceptible to fluctuations or longer range interactions which cooperate to select a magnetic order at low temperatures. Proximity to the nodal line spin liquid influences the ordered state, enhancing the effects of quantum fluctuations and stabilizing it through the opening of a large spin-wave gap. Our results demonstrate quantum fluctuations can act counter-intuitively in frustrated materials: instead of destabilizing ordering, at the brink of the nodal spin liquid they can act to stabilize it and dictate its low-energy physics.

cond-mat.str-el↗

arXiv2024

Unraveling the magnetic ground-state in alkali-metal lanthanide oxide Na$_2$PrO$_3$

A comprehensive set of muon spin spectroscopy and neutron scattering measurements supported by ab-initio and model Hamiltonian simulations have been used to investigate the magnetic ground state of Na$_2$PrO$_3$. $μ$SR reveals Néel antiferromagnetic order below $T_{\rm N}\! \sim\! 4.9$ K, with a small static magnetic moment $m_{\rm static}\!\leq \! 0.22$~$μ_{\rm B}/{\rm Pr}$ collinearly aligned along the $c-$axis. Inelastic neutron measurements reveal the full spectrum of crystal field excitations and confirm that the Pr$^{4+}$ ground state wave function deviates significantly from the $Γ_7$ limit relevant to the Kitaev model. Single and two magnon excitations are observed in the ordered state below $T_N=4.6$ K and are well described by non-linear spin wave theory from the Néel state using a magnetic Hamiltonian with Heisenberg exchange $J=1$ meV and symmetric anisotropic exchange $Γ/J=0.1$, corresponding to an XY model. Intense two magnon excitations are accounted for by $g$-factor anisotropy $g_\mathrm{z}/g_\pm = 1.29$. A fluctuating moment $δm^2 = 0.57(22)$ $μ_{\rm B}^2/{\rm Pr}$ extracted from the energy and momentum integrated inelastic neutron signal is reduced from expectations for a local $J=1/2$ moment with average $g$-factor $g_{\rm avg}\approx 1.1$. Together, the results demonstrate that the small moment in Na$_2$PrO$_3$ arises from crystal field and covalency effects and that the material does not exhibit significant quantum fluctuations..

cond-mat.str-el↗

arXiv2023

Landau Theory of Altermagnetism

We formulate a Landau theory for altermagnets, a class of colinear compensated magnets with spin-split bands. Starting from the non-relativistic limit, this Landau theory goes beyond a conventional analysis by including spin-space symmetries, providing a simple framework for understanding the key features of this family of materials. We find a set of multipolar secondary order parameters connecting existing ideas about the spin symmetries of these systems, their order parameters and the effect of non-zero spin-orbit coupling. We account for several features of canonical altermagnets such as RuO$_2$, MnTe and CuF$_2$ that go beyond symmetry alone, relating the order parameter to key observables such as magnetization, anomalous Hall conductivity and magneto-elastic and magneto-optical probes. Finally, we comment on generalizations of our framework to a wider family of exotic magnetic systems deriving from the zero spin-orbit coupled limit.

cond-mat.mtrl-sci↗

arXiv2023

Pseudo-Goldstone modes and dynamical gap generation from order-by-thermal-disorder

Accidental ground state degeneracies -- those not a consequence of global symmetries of the Hamiltonian -- are inevitably lifted by fluctuations, often leading to long-range order, a phenomenon known as "order-by-disorder" (ObD). The detection and characterization of ObD in real materials currently lacks clear, qualitative signatures that distinguish ObD from conventional energetic selection. We show that for order-by-thermal-disorder (ObTD) such a signature exists: a characteristic temperature dependence of the fluctuation-induced pseudo-Goldstone gap. We demonstrate this in a minimal two-dimensional model that exhibits ObTD, the ferromagnetic Heisenberg-compass model on a square lattice. Using spin-dynamics simulations and self-consistent mean-field calculations, we determine the pseudo-Goldstone gap, $Δ$, and show that at low temperatures it scales as the square root of temperature, $\sqrt{T} $. We establish that a power-law temperature dependence of the gap is a general consequence of ObTD, showing that all key features of this physics can be captured in a simple model of a particle moving in an effective potential generated by the fluctuation-induced free energy.

cond-mat.str-el↗

arXiv2021

Thermal Conductivity of Square Ice

We investigate thermal transport in square ice, a two-dimensional analogue of spin ice, exploring the role played by emergent magnetic monopoles in transporting energy. Using kinetic Monte Carlo simulations based on energy preserving extensions of single-spin-flip dynamics, we explicitly compute the (longitudinal) thermal conductivity, $κ$, over a broad range of temperatures. We use two methods to determine $κ$: a measurement of the energy current between thermal baths at the boundaries, and the Green-Kubo formula, yielding quantitatively consistent values for the thermal conductivity. We interpret these results in terms of transport of energy by diffusion of magnetic monopoles. We relate the thermal diffusivity, $κ/C$ where $C$ is the heat capacity, to the diffusion constant of an isolated monopole, showing that the subdiffusive monopole implies $κ/C$ vanishes at zero temperature. Finally, we discuss the implications of these results for thermal transport in three-dimensional spin ice, in spin ice materials such as Dy$_2$Ti$_2$O$_7$ and Ho$_2$Ti$_2$O$_7$, and outline some open questions for thermal transport in highly frustrated magnets.

cond-mat.str-el↗

arXiv2021

Towards understanding the magnetic properties of the breathing pyrochlore compound Ba3Yb2Zn5O11: A single crystal study

Ba3Yb2Zn5O11 is unique among breathing pyrochlore compounds for being in the nearly decoupled limit where inter-tetrahedron interactions are weak, hosting isolated clusters or "molecular magnet" like tetrahedra of magnetic ytterbium (Yb3+) ions. In this work, we present the first study carried out on single-crystal samples of the breathing pyrochlore Ba3Yb2Zn5O11, using a variety of magnetometry and neutron scattering techniques along with theoretical modeling. We employ inelastic neutron scattering to investigate the magnetic dynamics as a function of applied field (with respect to both magnitude and direction) down to a temperature of 70 mK, where inelastic scattering reveals dispersionless bands of excitations as found in earlier powder sample studies, in good agreement with a single-tetrahedron model. However, diffuse neutron scattering at zero field and dc-susceptibility at finite field exhibit features suggesting the presence of excitations at low-energy that are not captured by the single tetrahedron model. Analysis of the local structure down to 2 K via pair distribution function analysis finds no evidence of structural disorder. We conclude that effects beyond the single tetrahedron model are important in describing the low-energy, low temperature physics of Ba3Yb2Zn5O11, but their nature remains undetermined.

cond-mat.str-el↗

arXiv2020

Magnetoelectric generation of a Majorana-Fermi surface in Kitaev's honeycomb model

We study the effects of static magnetic and electric fields on Kitaev's honeycomb model. Using the electric polarization operator appropriate for Kitaev materials, we derive the effective Hamiltonian for the emergent Majorana fermions to second-order in both the electric and magnetic fields. We find that while individually each perturbation does not qualitatively alter Kitaev spin liquid, the cross-term induces a finite chemical potential at each Dirac node, giving rise to a Majorana-Fermi surface. We argue this gapless phase is stable and exhibits typical metallic phenomenology, such as linear in temperature heat capacity and finite, but non-quantized, thermal Hall response. Finally, we speculate on the potential for realization of this physics in Kitaev materials.

cond-mat.str-el↗

arXiv2019

Multi-phase competition in quantum $XY$ pyrochlore antiferromagnet CdYb$_{2}$Se$_{4}$: zero and applied magnetic field study

We study magnetic behaviour of the Yb$^{3+}$ ions on a frustrated pyrochlore lattice in the spinel {\CYS}. The crystal-electric field parameters deduced from high-energy inelastic neutron scattering reveal well-isolated ytterbium ground state doublet with a weakly Ising character. Magnetic order studied by powder neutron diffraction evolves from the $XY$-type antiferromagnetic $Γ_5$ state to a splayed ice-like ferromagnet (both with k=0) in applied magnetic field with $B_c$=3 T. Low-energy inelastic neutron scattering identifies weakly dispersive magnetic bands around 0.72 meV starting at $\mid\bf{Q}\mid$ = 1.1 Å$^{-1}$~ at zero field, which diminish with field and vanish above 3 T. We explain the observed magnetic behaviour in framework of the nearest-neighbour anisotropic exchange model for effective $S=1/2$ Kramers doublets on the pyrochlore lattice. The estimated exchanges position the {\CYS} spinel close to the phase boundary between the $Γ_5$ and splayed ferromagnet states, similar to the Yb-pyrochlores suggesting an important role of the competition between these phases.

cond-mat.str-el↗