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Laura Messio

Publications and source records attributed to Laura Messio.

At least 19 recordsLinked to original sources
arXiv2025

Majorana Diagrammatics for Quantum Spin-1/2 Models

A diagrammatic formalism for lattices of 1/2 is developed. It is based on an unconstrained mapping between spin and Majorana operators. This allows the use of standard tools of diagrammatic quantum many-body theory without requiring projections. We derive, in particular, the Feynman rules for the expansion around a color-preserving mean-field theory. We then present the numerical results obtained by computing the corrections up to second order for the Heisenberg model in one and two dimensions, showing that perturbative corrections are not only numerically important, but also qualitatively improve the results of mean-field theory. These results pave the way for the use of Majorana diagrammatic tools in theoretical and numerical studies of quantum spin systems.

cond-mat.str-el↗
arXiv2025

Chiral order emergence driven by quenched disorder

Quenched disorder can destroy magnetic order, for example when a random field is applied in a 2-dimensional Ising model. Even when an order exists in the presence of quenched disorder, it is usually only the survival of the order of the clean model. We present here a surprising phenomenon where an order emerges, driven by quenched disorder. This order has nothing in common with the order present in the clean model. This type of \textit{order by disorder} differs from the usual thermal or quantum one. The classical $J_1-J_3$ Heisenberg model on the kagome lattice is studied by parallel tempering Monte Carlo simulations, with site dilution. After analyzing the effect of a few vacancies on the ground state, favoring non-coplanar configurations, we show the emergence of a low-temperature chiral phase and the progressive destruction of the collinear $q=4$ Potts order, the only order present in the absence of vacancies.

cond-mat.stat-mech↗
arXiv2025

Is Herbertsmithite far from an ideal antiferromagnet? Ab-initio answer including in-plane Dzyaloshinskii-Moriya interactions and coupling with extra-plane impurities

Herbertsmithite is known as the archetype of a S=1/2 nearest-neighbor Heisenberg antiferromagnet on the Kagom\'e lattice, theoretically presumed to be a quantum gapless spin liquid. However, more and more experiments reveal that the model suffers from deviations from the ideal one, evidenced at very low temperatures. This detailed ab initio study focuses on two such deviations that have never been quantitatively calculated: the anisotropic exchange interactions and the Heisenberg exchange with extra-plane magnetic impurities. The Dzyaloshinskii-Moriya interaction is found to have an in-plane component almost three times larger than the out-of-plane component, but typically obviated in theoretical studies. Moreover, it is shown that the extra-plane magnetic impurities have a strong ferromagnetic interaction (minus half the main exchange $J_1$ ) with the Kagom\'e magnetic sites. Combined with an estimated occurrence of these magnetic impurities of $\sim15\%$, the present results indicate that two-dimensional magnetic models only describe part of the physics.

cond-mat.str-el↗
arXiv2025

Derivation of the free energy, entropy and specific heat for planar Ising models: Application to Archimedean lattices and their duals

The 2d ferromagnetic Ising model was solved by Onsager on the square lattice in 1944, and an explicit expression of the free energy density $f$ is presently available for some other planar lattices. But an exact derivation of the critical temperature $T_c$ only requires a partial derivation of $f$. It has been performed on many lattices, including the 11 Archimedean lattices. In this article, we give general expressions of the free energy, energy, entropy and specific heat for planar lattices with a single type of non-crossing links. It is known that the specific heat exhibits a logarithmic singularity at $T_c$: $c_V(T)\sim -A\ln|1-T_c/T|$, in all the ferromagnetic and some antiferromagnetic cases. While the non-universal weight $A$ of the leading term has often been evaluated, this is not the case for the sub-leading order term $B$ such that $c_V(T)+A\ln|1-T_c/T|\sim B$, despite its strong impact on the $c_V(T)$ values in the vicinity of $T_c$, particularly important in experimental measurements. Explicit values of $T_c$, $A$, $B$ and other thermodynamic quantities are given for the Archimedean lattices and their duals for both ferromagnetic and antiferromagnetic interactions.

cond-mat.stat-mech↗
arXiv2024

High temperature series expansions of S = 1/2 Heisenberg spin models: algorithm to include the magnetic field with optimized complexity

This work presents an algorithm for calculating high temperature series expansions (HTSE) of Heisenberg spin models with spin $S=1/2$ in the thermodynamic limit. This algorithm accounts for the presence of a magnetic field. The paper begins with a comprehensive introduction to HTSE and then focuses on identifying the bottlenecks that limit the computation of higher order coefficients. HTSE calculations involve two key steps: graph enumeration on the lattice and trace calculations for each graph. The introduction of a non-zero magnetic field adds complexity to the expansion because previously irrelevant graphs must now be considered: bridged graphs. We present an efficient method to deduce the contribution of these graphs from the contribution of sub-graphs, that drastically reduces the time of calculation for the last order coefficient (in practice increasing by one the order of the series at almost no cost). Previous articles of the authors have utilized HTSE calculations based on this algorithm, but without providing detailed explanations. The complete algorithm is publicly available, as well as the series on many lattice and for various interactions.

cond-mat.str-el↗
arXiv2021

Ground-state and thermodynamic properties of the spin-$\frac{1}{2}$ Heisenberg model on the anisotropic triangular lattice

The spin-$\frac12$ triangular lattice antiferromagnetic Heisenberg model has been for a long time the prototypical model of magnetic frustration. However, only very recently this model has been proposed to be realized in the Ba$_8$CoNb$_6$O$_{24}$ compound. The ground-state and thermodynamic properties are evaluated from a high-temperature series expansions interpolation method, called "entropy method", and compared to experiments. We find a ground-state energy $e_0 = -0.5445(2)$ in perfect agreement with exact diagonalization results. We also calculate the specific heat and entropy at all temperatures, finding a good agreement with the latest experiments, and evaluate which further interactions could improve the comparison. We explore the spatially anisotropic triangular lattice and provide evidence that supports the existence of a gapped spin liquid between the square and triangular lattices.

cond-mat.str-el↗
arXiv2020

Emergent Potts order in the kagom\'e $J_1-J_3$ Heisenberg model

Motivated by the physical properties of Vesignieite BaCu$_3$V$_2$O$_8$(OH)$_2$, we study the $J_1-J_3$ Heisenberg model on the kagom\'e lattice, that is proposed to describe this compound for $J_1<0$ and $J_3\gg|J_1|$. The nature of the classical ground state and the possible phase transitions are investigated through analytical calculations and parallel tempering Monte Carlo simulations. For $J_1<0$ and $J_3>\frac{1+\sqrt{5}}4|J_1|$, the ground states are not all related by an Hamiltonian symmetry. Order appears at low temperature via the order by disorder mechanism, favoring colinear configurations and leading to an emergent $q=4$ Potts parameter. This gives rise to a finite temperature phase transition. Effect of quantum fluctuations are studied through linear spin wave approximation and high temperature expansions of the $S=1/2$ model. For $J_3$ between $\frac14|J_1|$ and $\frac{1+\sqrt{5}}4|J_1|$, the ground state goes through a succession of semi-spiral states, possibly giving rise to multiple phase transitions at low temperatures.

cond-mat.str-el↗
arXiv2019

Effect of perturbations on the kagome $S=1/2$ antiferromagnet at all temperatures

The ground state of the $S=1/2$ kagome Heisenberg antiferromagnet is now recognized as a spin liquid, but its precise nature remains unsettled, even if more and more clues point towards a gapless spin liquid. We use high temperature series expansions (HTSE) to extrapolate the specific heat $c_V(T)$ and the magnetic susceptibility $\chi(T)$ over the full temperature range, using an improved entropy method with a self-determination of the ground state energy per site $e_0$. Optimized algorithms give the HTSE coefficients up to unprecedented orders (20 in $1/T$) and as exact functions of the magnetic field. Three extrapolations are presented for different low-$T$ behaviors of $c_V$: exponential (for a gapped system), linear or quadratic (for two different types of gapless spin liquids). We study the effects of various perturbations to the Heisenberg Hamiltonian: Ising anisotropy, Dzyaloshinskii-Moriya interactions, second and third neighbor interactions, and randomly distributed magnetic vacancies. We propose an experimental determination of $\chi(T=0)$, which could be non zero, from $c_V$ measurements under different magnetic fields.

cond-mat.str-el↗
arXiv2019

Turing-like patterns in an asymmetric dynamic Ising model

To investigate novel aspects of pattern formation in spin systems, we use a mapping between reactive concentrations in a reaction-diffusion system and spin orientations in a dynamic multiple-spin Ising model. While pattern formation in Ising models always rely on infinite-range interactions, this mapping allows us to design an finite-range interactions Ising model that can produce patterns observed in reaction diffusion systems including Turing patterns with a tunable typical length scale. This model has asymmetric interactions and several spin types coexisting at a site. While we use the example of genetic regulation during embryo-genesis to build our model, it can be used to study the behavior of other complex systems of interacting agents.

nlin.AO↗
arXiv2017

Chiral spin liquid on kagome antiferromagnet induced by Dzyaloshinskii-Moriya interaction

The quantum spin liquid material herbertsmithite is described by an antiferromagnetic Heisenberg model on the kagome lattice with non-negligible Dzyaloshinskii-Moriya interaction~(DMI). A well established phase transition to the $\mathbf q=0$ long-range order occurs in this model when the DMI strength increases, but the precise nature of a small-DMI phase remains controversial. Here, we describe a new phase obtained from Schwinger-boson mean-field theory that is stable at small DMI, and which can explain the dispersionless spectrum seen in inelastic neutron scattering experiment by Han et al (Nature (London) 492, 406 (2012)}). It is a time-reversal symmetry breaking $\mathbb Z_2$ spin liquid, with the unique property of a small and constant spin gap in an extended region of the Brillouin zone. The phase diagram as a function of DMI and spin size is given, and dynamical spin structure factors are presented.

cond-mat.str-el↗
arXiv2015

Projective symmetry group classification of chiral spin liquids

We present a general review of the projective symmetry group classification of fermionic quantum spin liquids for lattice models of spin $S=1/2$. We then introduce a systematic generalization of the approach for symmetric $\mathbb{Z}_2$ quantum spin liquids to the one of chiral phases (i.e., singlet states that break time reversal and lattice reflection, but conserve their product). We apply this framework to classify and discuss possible chiral spin liquids on triangular and kagome lattices. We give a detailed prescription on how to construct quadratic spinon Hamiltonians and microscopic wave functions for each representation class on these lattices. Among the chiral $\mathbb{Z}_2$ states, we study the subset of U(1) phases variationally in the antiferromagnetic $J_1$-$J_2$-$J_d$ Heisenberg model on the kagome lattice. We discuss static spin structure factors and symmetry constraints on the bulk spectra of these phases.

cond-mat.str-el↗
arXiv2015

TRIQS: A Toolbox for Research on Interacting Quantum Systems

We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum physics, and in particular, strongly-correlated electronic systems. It supplies components to develop codes in a modern, concise and efficient way: e.g. Green's function containers, a generic Monte Carlo class, and simple interfaces to HDF5. TRIQS is a C++/Python library that can be used from either language. It is distributed under the GNU General Public License (GPLv3). State-of-the-art applications based on the library, such as modern quantum many-body solvers and interfaces between density-functional-theory codes and dynamical mean-field theory (DMFT) codes are distributed along with it.

cond-mat.str-el↗
arXiv2015

Quantum Monte-Carlo for correlated out-of-equilibrium nanoelectronics devices

We present a simple, general purpose, quantum Monte-Carlo algorithm for out-of-equilibrium interacting nanoelectronics systems. It allows one to systematically compute the expansion of any physical observable (such as current or density) in powers of the electron-electron interaction coupling constant $U$. It is based on the out-of-equilibrium Keldysh Green's function formalism in real-time and corresponds to evaluating all the Feynman diagrams to a given order $U^n$ (up to $n=15$ in the present work). A key idea is to explicitly sum over the Keldysh indices in order to enforce the unitarity of the time evolution. The method can easily reach long time, stationary regimes, even at zero temperature. We then illustrate our approach with an application to the Anderson model, an archetype interacting mesoscopic system. We recover various results of the literature such as the spin susceptibility or the "Kondo ridge" in the current-voltage characteristics. In this case, we found the Monte-Carlo free of the sign problem even at zero temperature, in the stationary regime and in absence of particle-hole symmetry. The main limitation of the method is the lack of convergence of the expansion in $U$ for large $U$, i.e. a mathematical property of the model rather than a limitation of the Monte-Carlo algorithm. Standard extrapolation methods of divergent series can be used to evaluate the series in the strong correlation regime.

cond-mat.mes-hall↗
arXiv2014

Gapless chiral spin liquid in a kagome Heisenberg model

Motivated by recent experiments on the Heisenberg S=1/2 quantum spin liquid candidate material kapellasite, we classify all possible chiral (time-reversal symmetry breaking) spin liquids with fermionic spinons on the kagome lattice. We obtain the phase diagram for the physically relevant extended Heisenberg model, comparing the energies of a wide range of microscopic variational wave functions. We propose that, at low temperature, kapellasite exhibits a gapless chiral spin liquid phase with spinon Fermi surfaces. This two-dimensional state inherits many properties of the nearby one-dimensional phase of decoupled anti-ferromagnetic spin chains, but also shows some remarkable differences. We discuss the spin structure factors and other physical properties.

cond-mat.str-el↗
arXiv2013

Competition between three-sublattice order and superfluidity in the quantum 3-state Potts model of ultracold bosons and fermions on a square optical lattice

We study a quantum version of the three-state Potts model that includes as special cases the effective models of bosons and fermions on the square lattice in the Mott insulating limit. It can be viewed as a model of quantum permutations with amplitudes J_parallel and J_perp for identical and different colors, respectively. For J_parallel=J_perp>0, it is equivalent to the SU(3) Heisenberg model, which describes the Mott insulating phase of 3-color fermions, while the parameter range J_perp 0 properties for J_perp<0. For dominant antiferromagnetic J_parallel interactions, a three-sublattice long-range ordered stripe state is selected out of the ground state manifold of the antiferromagnetic Potts model by quantum fluctuations. Upon increasing |J_perp|, this state is replaced by a uniform superfluid for J_perp<0, and by an exotic three-sublattice superfluid followed by a two-sublattice superfluid for J_perp>0. The transition out of the uniform superfluid (that can be realized with bosons) is shown to be a peculiar type of Kosterlitz-Thouless transition with three types of elementary vortices.

cond-mat.str-el↗
arXiv2013

Time-reversal-symmetry-breaking chiral spin liquids: a projective symmetry group approach of bosonic mean-field theories

Projective symmetry groups (PSG) are the mathematical tools which allow to list and classify mean-field spin liquids (SL) based on a parton construction. The seminal work of Wen and its subsequent extension to bosons by Wang and Vishwanath concerned the so-called symmetric SL: i.e. states that break neither lattice symmetries nor time reversal invariance. Here we generalize this approach to chiral (time reversal symmetry breaking) SL described in a Schwinger boson mean-field approach. A special emphasis is put on frustrated lattices (triangular and kagome lattices), where the possibility of a chiral SL ground state has recently been discussed. The PSG approach is detailed for the triangular lattice case. Results for other lattices are given in the appendices. The physical significance of gauge invariant quantities called fluxes is discussed both in the classical limit and in the quantum SL and their expressions in terms of spin observables are given.

cond-mat.str-el↗
arXiv2012

Entropy dependence of correlations in one-dimensional SU(N) antiferromagnets

Motivated by the possibility to load multi-color fermionic atoms in optical lattices, we study the entropy dependence of the properties of the one-dimensional antiferromagnetic SU(N) Heisenberg model, the effective model of the SU(N) Hubbard model with one particle per site (filling 1/N). Using continuous-time world line Monte Carlo simulations for N=2 to 5, we show that characteristic short-range correlations develop at low temperature as a precursor of the ground state algebraic correlations. We also calculate the entropy as a function of temperature, and we show that the first sign of short-range order appears at an entropy per particle that increases with N and already reaches 0.8k_B at N=4, in the range of experimentally accessible values.

cond-mat.quant-gas↗