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S. A. Grigera

Publications and source records attributed to S. A. Grigera.

At least 19 recordsLinked to original sources

Magnetic self-frustration from spontaneous structural distortion

In frustrated magnetism, lattice distortions mediated by magnetoelastic coupling are commonly invoked as an escape route from extensive degeneracy toward an ordered ground state and, in some cases, the onset of multiferroicity. Here we present a minimal classical model that illustrates the converse phenomenon, which we term ``magnetic self-frustration''. Monte Carlo simulations reveal that a kagomé lattice with trivial magnetic interactions -- namely, nearest-neighbor Ising ferromagnetism -- undergoes a magnetostructural transition into a breathing-like phase, characterized by irregular bond dimerization along the three kagomé directions. Structurally, the equilateral triangles belonging to one of the two kagomé sublattices spontaneously distort, expanding into isosceles triangles. An analysis to first order in the magnetoelastic coupling constant $α$ shows that the shape of these triangles is remarkably robust. Acting like rigid building blocks in a puzzle, their vertices determine the geometry of the second sublattice, giving rise to contracted ferromagnetic triangles with a variety of shapes. The magnetic sector can be mapped onto an effective antiferromagnetic triangular lattice, which remains disordered down to low temperatures and retains a finite residual entropy of one third of that of Wannier. This self-frustrated phase takes place at intermediate values of $α$, separating the conventional undistorted ferromagnetic phase at weak coupling from a strongly coupled ordered phase characterized by a regular dimerized up-up-down-down antiferromagnetic pattern along the three kagomé directions, built from ferromagnetic triangles and hexagons.

cond-mat.str-el

Topological transitions in spin-ice induced by geometrical constraints

We study the nearest-neighbor spin-ice model subjected to a magnetic field applied along the global [111] and [110] directions, focusing on the role of sample geometry in stabilizing topological phase transitions. While no Kasteleyn transition is expected for this field orientations in the thermodynamic limit, we show that constraining the transverse dimensions of the system qualitatively changes the behavior. For samples elongated along the field direction with finite transverse area, the divergence-free constraint quantizes the number of string excitations that can span the system. As a result, the magnetization evolves through a cascade of discrete transitions corresponding to the successive entry of individual strings. Using Monte Carlo simulations, we demonstrate that each transition is marked by sharp magnetization steps and peaks in the specific heat and susceptibility, whose amplitudes scale linearly with the system length. We complement the numerical results with an analytical treatment based on the entropy - energy balance on a system with reduced dimensionality, deriving the critical fields associated with each topological sector. In the isotropic limit these transitions merge into a smooth crossover, but for anisotropic samples they remain sharply resolved, illustrating an unconventional mechanism by which finite geometry stabilizes topological phase transitions in frustrated magnets.

cond-mat.stat-mech

Investigation into the low temperature state of the spin-ice material Dy_2 Ti_2 O_7

The thermal equilibrium properties of the spin-ice material DTO, including specific heat, magnetization, and spin correlations, could be successfully reproduced by a model featuring magnetic interactions up to the third nearest neighbor and long-ranged dipolar forces. With the best-fit parameters, the model predicts an ordered ground state which breaks the cubic symmetry of the lattice. In this work, we analyze results from a neutron scattering experiment in which, instead of sharp Bragg peaks, a diffuse pattern was observed down to 300mK, despite very slow cooling [A. M. Samarakoon et al., Physical Review Research 4,033159 (2022).]. Using a reverse Monte Carlo approach, we found compatible spin configurations, analyze the suitability of antiferromagnetic spin chains as building blocks for the ground-state and provide various measures of correlation and calculate their energy. Our analysis suggests that while infinitely long chains are not present in the experimental configuration, antiferromagnetic spin chains provide a good approximation of the data. There are indications of possible evidence for short-range chains, but further investigation is needed for confirmation.

cond-mat.str-el

Dipolar effects on the behavior of magnetically diluted spin-ice

In this work, we explore the magnetic behavior of diluted spin-ice systems, where magnetic moments are randomly removed at various concentrations. We concentrate on features in which the effect of long range dipolar interactions (usually masked by self-screening in these systems) is made visible by dilution. Our initial focus is on the configurations reached after cooling to low temperatures at zero-field, sweeping the whole density range of impurities. We observe that the missing magnetic moments induce a certain type of local, magnetic charge order. Next, using Monte Carlo simulations, we examine the behavior of the magnetization under an applied magnetic field in the [111] crystallographic direction. The inclusion of dipolar interactions allows to account for the main features observed in previous experimental results. Using the dumbbell model, where magnetic moments are represented as pairs of oppositely charged magnetic monopoles, we are able to understand the qualitative behavior of these curves as we increase doping. Additionally, we use this framework to calculate the critical fields corresponding to the phase transition observed in pure samples, and the characteristic fields appearing at very low doping.

cond-mat.stat-mech

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

Simple microscopic model for magneto-electric coupling in type-II antiferromagnetic multiferroics

We present a simple two-dimensional model in which the lattice degrees of freedom mediate the interactions between magnetic moments and electric dipoles. This model reproduces basic features, such as a sudden electric polarization switch-off when a magnetic field is applied and the ubiquitous dimerized distortion patterns and magnetic $\uparrow \uparrow \downarrow \downarrow$ ordering, observed in several multiferroic materials of different composition. The list includes E-type manganites, RMnO$_3$, nickelates such as in YNiO$_3$ and other materials under strain, such as TbMnO$_3$. In spite of its simplicity, the model presented here captures the essence of the origin of multiferroicity in a large class of type II multiferroics.

cond-mat.str-el

Integration of Machine Learning with Neutron Scattering: Hamiltonian Tuning in Spin Ice with Pressure

Quantum materials research requires co-design of theory with experiments and involves demanding simulations and the analysis of vast quantities of data, usually including pattern recognition and clustering. Artificial intelligence is a natural route to optimise these processes and bring theory and experiments together. Here we propose a scheme that integrates machine learning with high-performance simulations and scattering measurements, covering the pipeline of typical neutron experiments. Our approach uses nonlinear autoencoders trained on realistic simulations along with a fast surrogate for the calculation of scattering in the form of a generative model. We demonstrate this approach in a highly frustrated magnet, Dy$_2$Ti$_2$O$_7$, using machine learning predictions to guide the neutron scattering experiment under hydrostatic pressure, extract material parameters and construct a phase diagram. Our scheme provides a comprehensive set of capabilities that allows direct integration of theory along with automated data processing and provides on a rapid timescale direct insight into a challenging condensed matter system.

cond-mat.other

Anomalous magnetic noise in imperfect flat bands in the topological magnet Dy2Ti2O7

The spin ice compound Dy_2Ti_2O_7 stands out as the first topological magnet in three dimensions, with its tell-tale emergent fractionalized magnetic monopole excitations. Its real-time dynamical properties have been an enigma from the very beginning. Using ultrasensitive, non-invasive SQUID measurements, we show that Dy_2Ti_2O_7 exhibits a highly anomalous noise spectrum, in three qualitatively different regimes: equilibrium spin ice, a `frozen' regime extending to ultra-low temperatures, as well as a high-temperature `anomalous' paramagnet. We show that in the simplest model of spin ice, the dynamics is not anomalous, and we present several distinct mechanisms which give rise to a coloured noise spectrum. In addition, we identify the structure of the single-ion dynamics as a crucial ingredient for any modelling. Thus, the dynamics of spin ice Dy_2Ti_2O_7 reflects the interplay of local dynamics with emergent topological degrees of freedom and a frustration-generated imperfectly flat energy landscape, and as such should be relevant for a broad class of magnetic materials.

cond-mat.str-el

Dynamics and thermodynamics of a topological transition in spin ice materials under strain

We study single crystals of Dy$_2$Ti$_2$O$_7$ and Ho$_2$Ti$_2$O$_7$ under magnetic field and stress applied along their [001] direction. We find that many of the features that the emergent gauge field of spin ice confers to the macroscopic magnetic properties are preserved in spite of the finite temperature. The magnetisation vs. field shows an upward convexity within a broad range of fields, while the static and dynamic susceptibilities present a peculiar peak. Following this feature for both compounds, we determine a single experimental transition curve: that for the Kasteleyn transition in three dimensions, proposed more than a decade ago. Additionally, we observe that compression up to $-0.8\%$ along [001] does not significantly change the thermodynamics. However, the dynamical response of Ho$_2$Ti$_2$O$_7$ is quite sensitive to changes introduced in the ${\rm Ho}^{3+}$ environment. Uniaxial compression can thus open up experimental access to equilibrium properties of spin ice at low temperatures.

cond-mat.stat-mech

Monopole matter from magnetoelastic coupling in the Ising pyrochlore

Ising models on a pyrochlore oxide lattice are usually associated with spin ice materials and "magnetic monopoles". Ever more often effects connecting magnetic and elastic degrees of freedom are reported on these and other related frustrated materials. Here we extend a spin-ice Hamiltonian to include coupling between spins and the O$^{-2}$ ions mediating superexchange; we call it the Magnetoelastic Spin Ice model (MeSI). There has been a long search for a model in which monopoles would spontaneously become the building blocks of new ground-states: the MeSI Hamiltonian is such a model. In spite of its simplicity and classical approach, it describes (both spin and oxygen lattice) the double-layered monopole crystal observed in Tb$_2$Ti$_2$O$_7$. Remarkably, the dipolar electric moment of single monopoles emerges as a probe for magnetism. As an example we show that, in principle, pinch points related to Coulomb phases could be detected in association with the O$^{-2}$-ion displacements.

cond-mat.str-el

Entropy as a function of magnetization for a 2D spin-ice model exhibiting a Kasteleyn transition

We present a combined analytical and numerical study of the entropy as a function of magnetization for an orientable 2D spin-ice model that exhibits a Kasteleyn transition. The model that we use is related to the well known six-vertex model but, as we show, our representation of it is more convenient for constructing approximate expressions for the entropy at fixed magnetization. We also discuss directions for further work, including the possibility of deforming our model into one exhibiting a quantum Kasteleyn transition.

cond-mat.str-el

Intermediate magnetisation state and competing orders in Dy$_2$Ti$_2$O$_7$ and Ho$_2$Ti$_2$O$_7$

Among the frustrated magnetic materials, spin-ice stands out as a particularly interesting system. Residual entropy, freezing and glassiness, Kasteleyn transitions and fractionalisation of excitations in three dimensions all stem from a simple classical Hamiltonian. But is the usual spin-ice Hamiltonian a correct description of the experimental systems? Here we address this issue by measuring magnetic susceptibility in the two most studied spin-ice compounds, Dy$_2$Ti$_2$O$_7$ and Ho$_2$Ti$_2$O$_7$, using a vector magnet. Using these results, and guided by a theoretical analysis of possible distortions to the pyrochlore lattice, we construct an effective Hamiltonian and explore it using Monte Carlo simulations. We show how this Hamiltonian reproduces the experimental results, including the formation of a phase of intermediate polarisation, and gives important information about the possible ground-state of real spin-ice systems. Our work suggests an unusual situation in which distortions might contribute to the preservation rather than relief of the effects of frustration.

cond-mat.stat-mech

An intermediate state between the kagome-ice and the fully polarized state in Dy$_2$Ti$_2$O$_7$

Dy$_2$Ti$_2$O$_7$ is at present the cleanest example of a spin-ice material. Previous theoretical and experimental work on the first-order transition between the kagome-ice and the fully polarized state has been taken as a validation for the dipolar spin-ice model. Here we investigate in further depth this phase transition using ac-susceptibility and dc-magnetization, and compare this results with Monte-Carlo simulations and previous magnetization and specific heat measurements. We find signatures of an intermediate state between the kagome-ice and full polarization. This signatures are absent in current theoretical models used to describe spin-ice materials.

cond-mat.stat-mech

Thermodynamics of the classical spin-ice model with nearest neighbour interactions using the Wang-Landau algorithm

In this article we study the classical nearest-neighbour spin-ice model (nnSI) by means of Monte Carlo simulations, using the Wang-Landau algorithm. The nnSI describes several of the salient features of the spin-ice materials. Despite its simplicity it exhibits a remarkably rich behaviour. The model has been studied using a variety of techniques, thus it serves as an ideal benchmark to test the capabilities of the Wang Landau algorithm in magnetically frustrated systems. We study in detail the residual entropy of the nnSI and, by introducing an applied magnetic field in two different crystallographic directions ([111] and [100],) we explore the physics of the kagome-ice phase, the transition to full polarisation, and the three dimensional Kasteleyn transition. In the latter case, we discuss how additional constraints can be added to the Hamiltonian, by taking into account a selective choice of states in the partition function and, then, show how this choice leads to the realization of the ideal Kasteleyn transition in the system.

cond-mat.str-el

Charge ordering in a pure spin model: dipolar spin-ice

We study the dipolar spin-ice model at fixed density of single excitations, $ρ$, using a Monte Carlo algorithm where processes of creation and annihilation of such excitations are banned. In the limit of $ρ$ going to zero, this model coincides with the usual dipolar spin-ice model at low temperatures, with the additional advantage that a negligible number of monopoles allows for equilibration even at the lowest temperatures. Thus, the transition to the ordered fundamental state found by Melko et al. in 2001 is reached using simple local spin flip dynamics. As the density is increased, the monopolar nature of the excitations becomes apparent: the system shows a rich $ρ$ vs. $T$ phase diagram with "charge" ordering transitions analogous to that observed for Coulomb charges in lattices. A further layer of complexity is revealed by the existence of order both within the charges and their associated vacuum, which can only be described in terms of spins --the true microscopic degrees of freedom of the system.

cond-mat.stat-mech

Pressure study of nematicity and quantum criticality in Sr$_3$Ru$_2$O$_7$ for an in-plane field

We study the relationship between the nematic phases of Sr$_3$Ru$_2$O$_7$ and quantum criticality. At ambient pressure, one nematic phase is associated with a metamagnetic quantum critical end point (QCEP) when the applied magnetic field is near the \textit{c}-axis. We show, however, that this metamagnetic transition does not produce the same nematic signatures when the QCEP is reached by hydrostatic pressure with the field applied in the \textit{ab}-plane. Moreover, a second nematic phase, that is seen for field applied in the \textit{ab}-plane close to, but not right at, a second metamagnetic anomaly, persists with minimal change to the highest applied pressure, 16.55 kbar. Taken together our results suggest that metamagnetic quantum criticality may not be necessary for the formation of a nematic phase in Sr$_3$Ru$_2$O$_7$.

cond-mat.str-el

Study of the electronic nematic phase of Sr$_3$Ru$_2$O$_7$ with precise control of the applied magnetic field vector

We report a study of the magnetoresistivity of high purity Sr$_3$Ru$_2$O$_7$, in the vicinity of its electronic nematic phase. By employing a triple-axis (9/1/1T) vector magnet, we were able to precisely tune both the magnitude and direction of the in-plane component of the magnetic field (H$_\parallel$). We report the dependence of the resistively determined anisotropy on H$_\parallel$ in the phase, as well as across the wider temperature-field region. Our measurements reveal a high-temperature anisotropy which mimics the behaviour of fluctuations from the underlying quantum critical point, and suggest the existence of a more complicated phase diagram than previously reported.

cond-mat.str-el

High temperature onset of field-induced transitions in the spin-ice compound Dy2Ti2O7

We have studied the field-dependent ac magnetic susceptibility of single crystals of Dy2Ti2O7 spin ice along the [111] direction in the temperature range 1.8 K - 7 K. Our data reflect the onset of local spin ice order in the appearance of different field regimes. In particular, we observe a prominent feature at approximately 1.0 T that is a precursor of the low-temperature metamagnetic transition out of field-induced kagome ice, below which the kinetic constraints imposed by the ice rules manifest themselves in a substantial frequency-dependence of the susceptibility. Despite the relatively high temperatures, our results are consistent with a monopole picture, and they demonstrate that such a picture can give physical insight to the spin ice systems even outside the low-temperature, low-density limit where monopole excitations are well-defined quasiparticles.

cond-mat.str-el