arXiv subjects

D. Sénéchal

Publications and source records attributed to D. Sénéchal.

At least 19 recordsLinked to original sources

arXiv2026

Topological superconductivity in a Hubbard model for twisted bilayer cuprates

We investigate the emergence of nontrivial topology in a twisted cuprate bilayer described by the Hubbard model in the weak-interaction regime. Our results show that the topological character depends sensitively on the doping level. For $U/t=3.85$, the Chern number assumes a value of $\pm 8$ in the electron-doped case, whereas it vanishes (0) in the hole-doped regime. The presence of nontrivial topology is further supported by an analysis the associated edge states and their chirality in a finite-width geometry, while keeping full correlations.

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arXiv2026

Subbath Cluster Dynamical Mean-Field Theory

Cluster Dynamical Mean-Field Theory (CDMFT) with an Exact Diagonalization (ED) impurity solver faces exponential scaling limitations from the Hilbert space dimension. We introduce Subbath CDMFT (SB-CDMFT), an alternative to the conventional ED-CDMFT method in which the discrete bath is subdivided into separate subbaths, each coupled to the cluster with distinct hybridization functions. In this approach, only one subbath at a time is actively involved in ED, dramatically reducing the computational cost by replacing a single large impurity problem with multiple smaller separate ones. Our method successfully reproduces key physical properties including particle-hole symmetry and Mott physics, while allowing for an extended bath representation at a fraction of the typical computational cost.

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arXiv2023

Dynamical Variational Monte Carlo as a quantum impurity solver: Application to Cluster Dynamical Mean-Field Theory

Two of the primary sources of error in the Cluster dynamical mean-field theory (CDMFT) technique arise from the use of finite size clusters and finite size baths, which makes the development of impurity solvers that can treat larger systems an essential goal. In this work we introduce an impurity solver based on the recently developed dynamical variational Monte Carlo (dVMC) method. Variational Monte Carlo possesses a favorable scaling as a function of system size, which enables the treatment of systems beyond the reach of current exact diagonalization solvers. To benchmark the technique, we perform a systematic set of CDMFT calculations on the one-dimensional Hubbard model. We compare to results obtained with an exact diagonalization solver for small clusters, and against the exact solution in the thermodynamic limit obtained by Lieb and Wu for larger clusters. The development of improved impurity solvers will help extend the reach of quantum cluster methods, which can be applied to a wide range of strongly-correlated electron systems, promising new insights on their emergent behavior.

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arXiv2022

Fermi Arcs From Dynamical Variational Monte Carlo

Variational Monte Carlo is a many-body numerical method that scales well with system size. It has been extended to study the Green function only recently by Charlebois and Imada (2020). Here we generalize the approach to systems with open boundary conditions in the absence of translational invariance. Removing these constraints permits the application of embedding techniques like Cluster perturbation theory (CPT). This allows us to solve an enduring problem in the physics of the pseudogap in cuprate high-temperature superconductors, namely the existence or absence of Fermi arcs in the one-band Hubbard model. We study the behavior of the Fermi surface and of the density of states as a function of hole doping for clusters of up to 64 sites, well beyond the reach of modern exact diagonalization solvers. We observe that the technique reliably captures the transition from a Mott insulator at half filling to a pseudogap, evidenced by the formation of Fermi arcs, and finally to a metallic state at large doping. The ability to treat large clusters with quantum cluster methods helps to minimize potential finite size effects and enables the study of systems with long range orders, which will help extend the reach of these already powerful methods and provide important insights on the nature of various strongly correlated many-electron systems, including the high-T$_c$ cuprate superconductors.

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arXiv2021

Charge order and antiferromagnetism in twisted bilayer graphene from the variational cluster approximation

We study the possibility of charge order at quarter filling and antiferromagnetism at half-filling in a tight-binding model of magic angle twisted bilayer graphene. We build on the model proposed by Kang and Vafek [Physical Review X 8(3), 031088 (2018)], relevant to a twist angle of $1.30^\circ$, and add on-site and extended density-density interactions. Applying the variational cluster approximation with an exact-diagonalization impurity solver, we find that the system is indeed a correlated (Mott) insulator at fillings $\frac14$, $\frac12$ and $\frac34$. At quarter filling, we check that the most probable charge orders do not arise, for all values of the interaction tested. At half-filling, antiferromagnetism only arises if the local repulsion $U$ is sufficiently large compared to the extended interactions, beyond what is expected from the simplest model of extended interactions.

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arXiv2021

Fermi arcs vs hole pockets: periodization of a cellular two-band model

It is still debated whether the low-doping Fermi surface of cuprates is composed of hole pockets or of disconnected Fermi arcs. Results from cellular dynamical mean field theory (c-DMFT) support the Fermi arcs hypothesis by predicting corresponding Fermi arcs for the Hubbard model. Here, we introduce a simple parametrization of the self-energy, in the spirit of Yang-Rice-Zhang theory, and show that state of the art c-CDMFT calculations cannot give a definitive answer to the question of Fermi arcs vs holes pockets, and this, independently of the periodization (cumulant or Green's function) used to display spectral weights of the infinite lattice. Indeed, when our model is restricted to a cluster and periodized like in c-DMFT, only two adjustable parameters suffice to reproduce the qualitative details of the frequency and momentum dependence of the low energy c-DMFT spectral weight for both periodizations. In other words, even though our starting model has a Fermi surface composed of hole and electron pockets, it leads to Fermi arcs when restricted to a cluster and periodized like in c-DMFT. We provide a new "compact tiling" scheme to recover the hole and electron pockets of our starting non-interacting lattice model, suggesting that better periodization schemes might exist.

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arXiv2021

Chiral $p$-wave superconductivity in twisted bilayer graphene from dynamical mean field theory

We apply cluster dynamical mean field theory with an exact-diagonalization impurity solver to a Hubbard model for magic-angle twisted bilayer graphene, built on the tight-binding model proposed by Kang and Vafek (2018), which applies to the magic angle $1.30^\circ$. We find that triplet superconductivity with $p+ip$ symmetry is stabilized by CDMFT, as well as a subdominant singlet $d+id$ state. A minimum of the order parameter exists close to quarter-filling and three-quarter filling, as observed in experiments.

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arXiv2021

Oxygen hole content, charge-transfer gap, covalency, and cuprate superconductivity

Experiments have shown that the families of cuprate superconductors that have the largest transition temperature at optimal doping also have the largest oxygen hole content at that doping. They have also shown that a large charge-transfer gap, a quantity accessible in the normal state, is detrimental to superconductivity. We solve the three-band Hubbard model with cellular dynamical mean-field theory and show that both of these observations follow from the model. Cuprates play a special role amongst doped charge-transfer insulators of transition metal oxides because copper has the largest covalent bonding with oxygen.

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arXiv2020

Loop currents in ladder cuprates: A dynamical mean field theory study

We investigate the possibility of spontaneous loop currents in the two-leg ladder cuprate Sr$_{14-x}$Ca$_x$Cu$_{24}$O$_{41}$ by applying cluster dynamical mean field theory (CDMFT) to a seven-band Hubbard model for that compound, with an exact diagonalization solver. We sample several values of the local interaction $U_d$ and of the Cu-O energy difference $E_{pd}$, by applying an external field that induces loop currents. We find no instance of spontaneous loop currents once the external field is brought to zero.

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arXiv2019

Intrinsic Cluster-Shaped Density Waves in Cellular Dynamical Mean-Field Theory

It is well known that cellular dynamical mean-field theory (CDMFT) leads to the artificial breaking of translation invariance. In spite of this, it is one of the most successful methods to treat strongly correlated electrons systems. Here, we investigate in more detail how this broken translation invariance manifests itself. This allows to disentangle artificial broken translation invariance effects from the genuine strongly correlated effects captured by CDMFT. We report artificial density waves taking the shape of the cluster---cluster density waves---in all our zero temperature CDMFT solutions, including pair density waves in the superconducting state. We discuss the limitations of periodization regarding this phenomenon, and we present mean-field density-wave models that reproduce CDMFT results at low energy in the superconducting state. We then discuss how these artificial density waves help the agreement of CDMFT with high temperature superconducting cuprates regarding the low-energy spectrum, in particular for subgap structures observed in tunnelling microscopy. We relate these subgap structures to nodal and anti-nodal gaps in our results, similar to those observed in photoemission experiments. This fortuitous agreement suggests that spatial inhomogeneity may be a key ingredient to explain some features of the low-energy underdoped spectrum of cuprates with strongly correlated methods. This work deepens our understanding of CDMFT and clearly identifies signatures of broken translation invariance in the presence of strong correlations.

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arXiv2019

Superfluid stiffness in cuprates: Effect of Mott transition and phase competition

Superfluid stiffness $ρ_s$ is a defining characteristic of the superconducting state, allowing phase coherence and supercurrent. It is accessible experimentally through the penetration depth. Coexistence of $d$-wave superconductivity with other phases in underdoped cuprates, such as antiferromagnetism (AF) or charge-density waves (CDW), may drastically alter $ρ_s$. To shed light on this physics, the zero-temperature value of $ρ_s=ρ_{zz}$ along the $c$-axis was computed for different values of Hubbard interaction $U$ and different sets of tight-binding parameters describing the high-temperature superconductors YBCO and NCCO. We used Cellular Dynamical Mean-Field Theory for the one-band Hubbard model with exact diagonalization as impurity solver and state-of-the-art bath parametrization. We conclude that Mott physics plays a dominant role in determining the superfluid stiffness on the hole-doped side of the phase diagram. On the electron-doped side, antiferromagnetism wins over superconductivity near half-filling. But upon approaching optimal electron-doping, homogeneous coexistence between superconductivity and antiferromagnetism causes the superfluid stiffness to drop sharply. Hence, on the electron-doped side, it is competition between antiferromagnetism and $d$-wave superconductivity that plays a dominant role in determining the value of $ρ_{zz}$ near half-filling. At large overdoping, $ρ_{zz}$ behaves in a more BCS-like manner in both the electron- and hole-doped cases. We comment on some qualitative implications of these results for the superconducting transition temperature.

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arXiv2019

Coexistence of Superconductivity and Antiferromagnetism in the Hubbard model for cuprates

Antiferromagnetism and $d$-wave superconductivity are the most important competing ground-state phases of cuprate superconductors. Using cellular dynamical mean-field theory (CDMFT) for the Hubbard model, we revisit the question of the coexistence and competition of these phases in the one-band Hubbard model with realistic band parameters and interaction strengths. With an exact diagonalization solver, we improve on previous works with a more complete bath parametrization which is carefully chosen to grant the maximal possible freedom to the hybridization function for a given number of bath orbitals. Compared with previous incomplete parametrizations, this general bath parametrization shows that the range of microscopic coexistence of superconductivity and antiferromagnetism is reduced for band parameters for NCCO, and confined to electron-doping with parameters relevant for YBCO.

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arXiv2019

Group-theoretic classification of superconducting states of Strontium Ruthenate

The possible superconducting states of strontium ruthenate (Sr$_2$RuO$_4$) are organized into irreducible representations of the point group $D_{4h}$, with a special emphasis on nodes occurring within the superconducting gap. Our analysis covers the cases with and without spin-orbit coupling and takes into account the possibility of inter-orbital pairing within a three-band, tight-binding description of Sr$_2$RuO$_4$. No dynamical treatment if performed: we are confining ourselves to a group-theoretical analysis. The case of uniaxial deformations, under which the point group symmetry is reduced to $D_{2h}$, is also covered. It turns out that nodal lines, in particular equatorial nodal lines, occur in most representations. We also highlight some results specific to multiorbital superconductivity. Among other things, we find that odd inter-orbital pairing allows to combine singlet and triplet superconductivity whithin the same irreducible representation, that pure inter-orbital superconductivity leads to nodal surfaces and that the notion of nodes imposed by symmetry is not clearly defined.

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arXiv2018

Phase diagram of the Hubbard-Kondo lattice model from variational cluster approximation

The interplay between the Kondo effect and magnetic ordering driven by the Ruderman-Kittel-Kasuya-Yosida interaction is studied within the two-dimensional Hubbard-Kondo lattice model. In addition to the antiferromagnetic exchange interaction, $J_\perp$, between the localized and the conduction electrons, this model also contains the local repulsion, $U$, between the conduction electrons. We use variational cluster approximation to investigate the competition between the antiferromagnetic phase, the Kondo singlet phase, and a ferrimagnetic phase on square lattice. At half-filling, the Néel antiferromagnetic phase dominates from small to moderate $J_\perp$ and $UJ_\perp$, and the Kondo singlet elsewhere. Sufficiently away from half-filling, the antiferromagnetic phase first gives way to a ferrimagnetic phase (in which the localized spins order ferromagnetically, and the conduction electrons do likewise, but the two mutually align antiferromagnetically), and then to the Kondo singlet phase.

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arXiv2017

Hall effect in cuprates with incommensurate spin-density wave

The presence of incommensurate spiral spin-density waves (SDW) has been proposed to explain the $p$ (hole doping) to $1+p$ jump measured in the Hall number $n_H$ at a doping $p^*$. Here we explore {\it collinear} incommensurate SDW as another possible explanation of this phenomenon, distinct from the incommensurate {\it spiral} SDW proposal. We examine the effect of different SDW strengths and wavevectors and we find that the $n_H\sim p$ behavior is hardly reproduced at low doping. The calculated $n_H$ and Fermi surfaces give characteristic features that should be observed, thus the lack of these features in experiment suggests that the incommensurate collinear SDW is unlikely to be a good candidate to explain the $n_H\sim p$ observed in the pseudogap regime.

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arXiv2017

Phenomenological theories of the low-temperature pseudogap: Hall number, specific heat and Seebeck coefficient

Since its experimental discovery, many phenomenological theories successfully reproduced the rapid rise from $p$ to $1+p$ found in the Hall number $n_H$ at the critical doping $p^*$ of the pseudogap in superconducting cuprates. Further comparison with experiments is now needed in order to narrow down candidates. In this paper, we consider three previously successful phenomenological theories in a unified formalism---an antiferromagnetic mean field (AF), a spiral incommensurate antiferromagnetic mean field (sAF), and the Yang-Rice-Zhang (YRZ) theory. We find a rapid rise in the specific heat and a rapid drop in the Seebeck coefficient for increasing doping across the transition in each of those models. The predicted rises and drops are locked, not to~$p^*$, but to the doping where anti-nodal electron pockets, characteristic of each model, appear at the Fermi surface shortly before~$p^*$. While such electron pockets are still to be found in experiments, we discuss how they could provide distinctive signatures for each model. We also show that the range of doping where those electron pockets would be found is strongly affected by the position of the van~Hove singularity.

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arXiv2016

Density Waves Cause Sub-Gap Structures but no Pseudogap in Superconducting Cuprates

In scanning tunneling microscopy (STM) conductance curves, the superconducting gap of cuprates is sometimes accompanied by small sub-gap structures at very low energy. This was documented early on near vortex cores and later at zero magnetic field. Using mean-field toy models of coexisting d-wave superconductivity ($d$SC), \emph{d}-form factor density wave ($d$FF-DW), and extended s-wave pair density wave ($s'$PDW), we find agreement with this phenomenon, with $s'$PDW playing a critical role. We explore the high variability of the gap structure with changes in band structure and density wave (DW) wave vector, thus explaining why sub-gap structures may not be a universal feature in cuprates. In the absence of nesting, non-superconducting results never show signs of pseudogap, even for large density waves magnitudes, therefore reinforcing the idea of a distinct origin for the pseudogap, beyond mean-field theory. Therefore, we also briefly consider the effect of DWs on a pre-existing pseudogap.

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arXiv2016

Interplay Between $d$-wave Superconductivity and a Bond Density Wave in the one-band Hubbard model

It is now well established that superconducting cuprates support a charge density wave state in the so-called underdoped region of their phase diagram. We investigate the possibility of charge order in the square-lattice Hubbard model, both alone and in coexistence with $d$-wave superconductivity. The charge order has a period four in one direction, is centered on bonds and has a $d$ form factor. We use the variational cluster approximation, an approach based on a rigorous variational principle that treats short-range correlations exactly, with two clusters of size $2\times6$ that together tile the infinite lattice and provide a non-biased unit for a period-four bond density wave (BDW). We find that the BDW exists in a finite range of hole doping and increases in strength from $U=5$ to $U=8$. Its location and intensity depends strongly on the band dispersion. When probed simultaneously with $d$-wave superconductivity, the energy is sometimes lowered by the presence of both phases, depending on the interaction strength. Whenever they coexist, a pair-density wave (a modulation of superconducting pairing with the same period and form factor as the BDW) also exists.

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