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Ezra Day-Roberts

Publications and source records attributed to Ezra Day-Roberts.

13 recordsLinked to original sources

Electron vs. hole doping in infinite-layer nickelates: electronic structure, magnetism and correlations

The observation of superconductivity in undoped infinite-layer nickelates $R$NiO$_2$ ($R$ = rare earth) challenges our current understanding and calls for a re-examination of the underlying electronic structure of this family of materials. In this context, it is particularly important to extend the investigation of $R$NiO$_2$ compounds from the intensively studied hole-doped regime to the almost unexplored electron-doped one. Here, we use a combination of density-functional theory and dynamical mean-field theory to study the evolution of the electronic structure of infinite-layer nickelates in these two doping regimes. We find a striking asymmetry in the self-doping of the Ni-$d_{x^2-y^2}$ band due to the $R(5d)$ states: while this effect is strongly suppressed upon hole doping, electron doping instead leads to an increase in the size of the $R(5d)$ electron pockets, but without effectively hole-doping the Ni-$d_{x^2-y^2}$ band. This asymmetry has an important impact on the magnetic response as antiferromagnetism is rapidly suppressed upon hole doping, whereas it remains the ground state upon electron doping. Despite these differences, electronic correlations on both sides of the phase diagram are dominated by the Ni $d_{x^2-y^2}$ orbital, suggesting that a single-band description may be appropriate for infinite-layer nickelates in both the electron- and hole-doped regimes.

cond-mat.str-el

Evidence for ferroaxial order in 1T-TiSe$_2$ via elastoresistivity measurements

The study of spontaneous symmetry breaking and electronic order is fundamental in condensed matter physics. Hidden order, symmetry-breaking states that elude conventional probes, potentially plays a crucial role in understanding complex quantum phases in a wide range of materials. Ferroaxial order, a state characterized by broken mirror symmetries while maintaining time-reversal and inversion symmetries, is one of the hidden orders that have proven most challenging to detect experimentally. Here, we demonstrate a new approach for investigating both the ferroaxial order parameter and ferroaxial susceptibility using elastoresistivity measurements. We do this for 1T-TiSe$_{2}$, a material that exhibits charge density wave order that has eluded comprehensive understanding for a long time. These measurements reveal an anomalous off-diagonal linear elastoresistivity in the CDW state. We discuss why this provides a smoking gun for ferroaxial order. Furthermore, we construct an appropriate combination of the symmetry-breaking strains $ε_{x^2-y^2}$ and $ε_{xy}$ that acts as an effective conjugate field for the ferroaxial order, and demonstrate how sweeping this effective field in the CDW state results in a hysteretic behavior of the elastoresistivity, associated with the movement of ferroaxial domain walls. Finally, we reveal a divergence of certain nonlinear elastoresistivity coefficients above the critical temperature, and discuss how this is consistent with a divergence of the ferroaxial susceptibility near T$_{\rm{CDW}}$ $\sim$ 200K. Our study also includes detailed elastocaloric measurements, which reveal the presence of an additional phase transition several tens of Kelvin below T$_{\rm{CDW}}$. Our results provide new insight into the symmetry of the ordered state in 1T-TiSe$_2$ and establish elastoresistivity as a powerful probe of hidden order and its symmetry.

cond-mat.str-el

Tuning the magnetic properties of Kitaev materials via the antiferromagnetic proximity effect: Novel phases and application to an $α$-RuCl$_3$/MnPS$_3$ bilayer

In recent years, the increasing level of control over van der Waals (vdW) heterostructures has opened new routes to tune the properties of quantum materials. Motivated by these developments, we examine the potential consequences of interfacing a Kitaev honeycomb magnet, such as $α$-RuCl$_3$, with a nearly lattice-matched vdW antiferromagnet. By combining perturbation theory, exact diagonalization, and a classical energy-minimization method, we show that an effective staggered magnetic field originating from the vdW antiferromagnet can drive a monolayer of a Kitaev material into various novel phases, including an antichiral Kitaev spin liquid, a nonmagnetic nematic phase, and different types of skyrmion crystals. We then apply first-principle simulations to assess the prospect of concretely realizing this setup in a heterobilayer of $α$-RuCl$_3$ and the easy-axis antiferromagnet MnPS$_3$.

cond-mat.str-el

Electronic layer decoupling driven by density-wave order in La$_4$Ni$_3$O$_{10}$

We probe the density-wave transition of the trilayer nickelate La$_4$Ni$_3$O$_{10}$ with polarization-resolved infrared spectroscopy. The low-energy electrodynamics is strongly anisotropic, with metallic in-plane and insulating out-of-plane character. In the ordered phase, the anisotropy grows more than an order of magnitude as the out-of-plane conductivity is sharply suppressed. We interpret this enhancement as an effective electronic decoupling of the Ni-O layers, driven by a spin-density-wave-induced redistribution of Ni-$d_{z^2}$ occupation within the trilayers. This electronic response is accompanied by clear shifts and splittings of the out-of-plane phonons, compatible with a density-wave instability of electronic origin.

cond-mat.str-el

An altermagnetic materials library in intercalated transition-metal dichalcogenides

Altermagnets represent a promising class of magnetic materials owing to their distinctive spin-split band structures in the absence of net magnetization. Here, we present a first-principles investigation of altermagnetism in magnetically intercalated transition metal dichalcogenides (TMDs) with the general formula T$_y$MX$_2$ (T= 3$d$-transition metal, M= transition-metal, X=chalcogen, $y$= 1/3 or 1/4). For a TMD host with 2H structure, compounds exhibiting A-type antiferromagnetism are $g$-wave altermagnets by symmetry. We identify several intercalated TMDs fulfilling the conditions for altermagnetic order to be realized. Several of these candidate materials display spin-splittings at the Fermi level as large as 100 meV.

cond-mat.mtrl-sci

Tuning entanglement phases and topological memory in the measurement-only Kitaev model with single and multi-qubit checks

Quantum circuits provide an emerging controllable platform to realize novel dynamical non-equilibrium phases including topologically ordered states. The Kitaev model has become a cornerstone of quantum magnetism due to its quantum spin liquid ground state and rich phase diagram. The Kitaev model has also been treated in the monitored circuit setting, giving rise to topological area-law and critical-law entanglement entropy phases. In this article, we study the evolution of its phase diagram under the addition of new terms, motivated by their effects in the Kitaev model. We find that a single-qubit term, analogous to a magnetic field, leads to a trivial state in the high field limit, but with an additional intermediate volume-law phase. A three-qubit operator that commutes with the flux operators has the opposite effect: it stabilizes the critical-law phase against the short ranged area-law entanglement. We also employ a four-qubit plaquette commuting operator that simultaneously measures two opposite identical-type bonds on a plaquette. This generates a distinct volume-law phase and preserves the plaquette fluxes and associated topological order, yielding extensive entanglement while coexisting with the topological memory characteristic of the area-law phase. We quantitatively locate phase boundaries using stabilizer (Clifford) simulations together with tripartite mutual information and entanglement entropy measures. Our results highlight the rich phase diagram accessible from the measurement-only Kitaev model as well as suggesting rules relating the newly added operators to the phases they promote.

cond-mat.str-el

Error stabilized logical qubits in qudit generalizations of the monitored Kitaev model

Monitored dynamics in quantum circuits provide tunable platforms for the realization of novel non-equilibrium phases. Motivated by recent advances in monitored Kitaev circuits, we investigate the monitored dynamics of the qudit ($d=4$) generalizations of the Kitaev model on the honeycomb and square lattices. In the absence of additional perturbations, the measurement-only dynamics of these models map onto multi-flavor loop models and display either critical or area-law entanglement scaling. Magnetic field terms couple different flavors and when measured with sufficiently large probability, they enhance the stability of the area-law phase that hosts the logical qubits. In a circuit picture, these terms correspond to single-qubit measurements and can be interpreted as errors. We also examine the impact of two-qubit measurements that commute with the plaquette operator, which induce effective non-quadratic interactions between Majorana fermions. These interactions can drive a transition to a volume-law-entangled phase and, for sufficiently strong coupling, stabilize a distinct area-law phase with an additional logical qubit for the square lattice model. Our results reveal a rich interplay between quantum spin liquids and monitored circuit dynamics, highlighting new mechanisms for engineering and controlling entanglement phases in multi-flavor Majorana systems.

quant-ph

Altermagnets with topological order in Kitaev bilayers

Building on recent advancements in altermagnetism, we develop a highly-frustrated magnetic model with Kitaev-like interactions that integrates key aspects of both quantum spin liquids and altermagnets. While the ground state is a gapless quantum spin liquid, our analysis indicates that an altermagnetic local order emerges upon the introduction of additional interactions that gap the excitation spectrum and give rise to a $\mathbb{Z}_2 $ topological order. This magnetically-fragmented topological altermagnet has fractionalized fermionic excitations with momentum-dependent splitting, in stark contrast to both standard altermagnets and Kitaev spin liquids. In addition, we discover two more altermagnetic phases, including a pseudo-altermagnet that exhibits splitting in the absence of a local order and a half-altermagnet that possesses only one type of fractionalized excitations, similar to a half-metal. We discuss experimental approaches for detecting these phases, including layer-dependent spin and heat transport. Our results highlight the rich physics that can arise due to the interplay between altermagnetism and fractionalized excitations in quantum magnets.

cond-mat.str-el

Piezoresistivity as a Fingerprint of Ferroaxial Transitions

Recent progress in the understanding of the collective behavior of electrons and ions have revealed new types of ferroic orders beyond ferroelectricity and ferromagnetism, such as the ferroaxial state. The latter retains only rotational symmetry around a single axis and reflection symmetry with respect to a single mirror plane, both of which are set by an emergent electric toroidal dipole moment. Due to this unusual symmetry-breaking pattern, it has been challenging to directly measure the ferroaxial order parameter, despite the increasing attention this state has drawn. Here, we show that off-diagonal components of the piezoresistivity tensor (i.e., the linear change in resistivity under strain) transform the same way as the ferroaxial moments, providing a direct probe of such order parameters. We identify two new proper ferroaxial materials through a materials database search, and use first-principles calculations to evaluate the piezoconductivity of the double-perovskite CaSnF$_6$, revealing its connection to ferroaxial order and to octahedral rotation modes.

cond-mat.mtrl-sci

Gating-Induced Mott Transition in NiS$_2$

NiS$_2$ has been widely regarded as a model system to study the bandwidth-controlled Mott transition, as enabled by isovalent Se chemical substitution on the S sites. Motivated by advances in electrolyte gating, we theoretically investigate the filling-controlled Mott transition induced by gating, which has the advantage of avoiding dopant disorder and stoichiometric changes. We use combined Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) to study such a filling-controlled transition and compare it with the case of bandwidth control. We draw a temperature-filling phase diagram and find that the Mott-insulator to metal transition occurs with modest added electron concentrations, well within the capabilities of existing electrolyte gating experiments. We find that there is significant incoherent weight at the Fermi level in the metallic phase when the transition is induced by gating. In contrast, the spectral weight remains rather coherent in the case of the bandwidth-controlled transition.

cond-mat.str-el

Robust Gapless Superconductivity in 4Hb-TaS$_2$

The superconducting TMD 4Hb-TaS$_2$ consists of alternating layers of H and T structures, which in their bulk form are metallic and Mott-insulating, respectively. Recently, this compound has been proposed as a candidate chiral superconductor, due to an observed enhancement of the muon spin relaxation at $T_c$. 4Hb-TaS$_2$ also exhibits a puzzling $T$-linear specific heat at low temperatures, which is unlikely to be caused by disorder. Elucidating the origin of this behavior is an essential step in discerning the true nature of the superconducting ground state. Here, we propose a simple model that attributes the $T$-linear specific heat to the emergence of a robust multi-band gapless superconducting state. We show that an extended regime of gapless superconductivity naturally appears when the pair-breaking scattering rate on distinct Fermi-surface pockets differs significantly, and the pairing interaction is predominantly intra-pocket. Using a tight-binding model derived from first-principle calculations, we show that the pair-breaking scattering rate promoted by slow magnetic fluctuations on the T layers, which arise from proximity to a Mott transition, can be significantly different in the various H-layer dominated Fermi pockets depending on their hybridization with T-layer states. Thus, our results suggest that the ground state of 4Hb-TaS$_2$ consists of Fermi pockets displaying gapless superconductivity, which are shunted by superconducting Fermi pockets that are nearly decoupled from the T-layers.

cond-mat.supr-con

Nature of Protected Zero Energy States in Penrose Quasicrystals

The electronic spectrum of the Penrose rhombus quasicrystal exhibits a macroscopic fraction of exactly degenerate zero energy states. In contrast to other bipartite quasicrystals, such as the kite-and-dart one, these zero energy states cannot be attributed to a global mismatch $Δn$ between the number of sites in the two sublattices that form the quasicrystal. Here, we argue that these zero energy states are instead related to a local mismatch $Δn(\bf r)$. Although $Δn(\bf r)$ averages to zero, its staggered average over self-organized domains gives the correct number of zero energy states. Physically, the local mismatch is related to a hidden structure of nested self-similar domains that support the zero energy states. This allows us to develop a real space renormalization-group scheme, which yields the scaling law for the fraction of zero energy states, $Z$, versus size of their support domain, $N$, as $Z\propto N^{-η}$ with $η=1-\ln 2/\ln(1+τ) \approx 0.2798$ (where $τ$ is the golden ratio). It also reproduces the known total fraction of the zero energy states, $81-50τ\approx 0.0983$. We also show that the exact degeneracy of these states is protected against a wide variety of local perturbations, such as irregular or random hopping amplitudes, magnetic field, random dilution of the lattice, etc. We attribute this robustness to the hidden domain structure and speculate about its underlying topological origin.

cond-mat.str-el

Contrasting Ferromagnetism in Pyrite FeS$_2$ Induced by Chemical Doping versus Electrostatic Gating

Recent advances in electrostatic gating provide a novel way to modify the carrier concentration in materials via electrostatic means instead of chemical doping, thus minimizing the impurity scattering. Here, we use first-principles Density Functional Theory combined with a tight-binding approach to compare and contrast the effects of electrostatic gating and Co chemical doping on the ferromagnetic transition of FeS$_2$, a transition metal disulfide with the pyrite structure. Using tight-binding parameters obtained from maximally-localized Wannier functions, we calculate the magnetic susceptibility across a wide doping range. We find that electrostatic gating requires a higher electron concentration than the equivalent in Co doping to induce ferromagnetism via a Stoner-like mechanism. We attribute this behavior to the formation of a narrow Co band near the bottom of the conduction band under chemical doping, which is absent in the electrostatic gating case. Our results reveal that the effects of electrostatic gating go beyond a simple rigid band shift, and highlight the importance of the changes in the crystal structure promoted by gating.

cond-mat.mtrl-sci