arXiv subjects

Benjamin Bacq-Labreuil

Publications and source records attributed to Benjamin Bacq-Labreuil.

7 recordsLinked to original sources

arXiv2026

The role of the apical oxygen in cuprate high-temperature superconductors

Scanning tunneling microscopy measurements exploiting the natural superstructure modulation of the cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ (Bi-2212) have revealed a possible correlation between the Cu-apical-O distance $\delta_{\mathrm{api}}$ and the superconducting order parameter $m_{\mathrm{SC}}$, as reported recently by O'Mahony et al. (Proc. Natl. Acad. Sci. 119, e2207449119 (2022)). These observations were interpreted as evidence for a direct link between superconductivity and the charge-transfer gap, and more broadly revived the long-standing question of the role of apical oxygens in cuprate superconductivity. Using a combination of density-functional theory and cluster dynamical mean-field theory, we compute from first principles the variations of $m_{\mathrm{SC}}$ induced solely by apical oxygen displacement in Bi$_2$Sr$_2$CuO$_{6+\delta}$, Bi-2212, and HgBa$_2$CuO$_{4+\delta}$. The quantitative agreement between our calculations and experiments allows us to unambiguously attribute the observed variations of $m_{\mathrm{SC}}$ to changes in $\delta_{\mathrm{api}}$. We demonstrate, however, that these variations of $m_{\mathrm{SC}}$ originate predominantly from changes in the effective hole-doping of the CuO$_2$ planes, with negligible effect on the charge-transfer gap. The modest magnitude of the $m_{\mathrm{SC}}$ modulation induced by apical-oxygen displacement alone therefore warrants caution in interpreting correlations between $T_c$ and $\delta_{\mathrm{api}}$ inferred from comparisons across different cuprate compounds. Our work demonstrates that the present ab initio framework can quantitatively resolve the influence of specific structural degrees of freedom on superconductivity in correlated oxides.

cond-mat.str-el↗

arXiv2025

Magnetic excitons in a suspended 2D antiferromagnetic membrane

Layered magnetic and strongly correlated materials present a rich platform for condensed matter physics with intrinsic properties intertwined by magnetism and low-dimensionality. A suspended light-emitting 2D antiferromagnetic membrane forms a highly controllable hybrid system in which the interplay between spin ordering, optical and mechanical degrees of freedom can be uniquely explored. NiPS$_3$ hosts excitons responsible for a puzzling luminescence down to a few atomic layers, linked to its zigzag antiferromagnetic order. The nature of these excitons remains unclear. Here we report on the magnetic excitons of a suspended few-layer NiPS$_3$ membrane. We reveal nematic zigzag states and study the optical transitions induced by the magnon-mediated motion of the excitation in the magnetic lattice, resulting in magnon-dressed excitons. We observe a strain tuning of these emission lines, dependent on their microscopic origin, with rates that sign a strong localization of the magnetic excitons, fading with the number of magnon-mediated hops.

cond-mat.mes-hall↗

arXiv2025

Towards an ab initio theory of high-temperature superconductors: a study of multilayer cuprates

Significant progress towards a theory of high-temperature superconductivity in cuprates has been achieved via the study of effective one- and three-band Hubbard models. Nevertheless, material-specific predictions, while essential for constructing a comprehensive theory, remain challenging due to the complex relationship between real materials and the parameters of the effective models. By combining cluster dynamical mean-field theory and density functional theory in a charge-self-consistent manner, here we show that the goal of material-specific predictions for high-temperature superconductors from first principles is within reach. We take on the challenge of explaining the remarkable physics of multilayer cuprates by focusing on the two representative Ca$_{(1+n)}$Cu$_{n}$O$_{2n}$Cl$_2$ and HgBa$_2$Ca$_{(n-1)}$Cu$_n$O$_{(2n+2)}$ families. We shed light on the microscopic origin of many salient features of multilayer cuprates, in particular the $n$-dependence of their superconducting properties. The maximum of $T_c$ for the tri-layer compounds is explained by an intertwined analysis of the charge-transfer gap, superexchange $J$, and inhomogeneous doping between the CuO$_{2}$ planes. We highlight the existence of a minimal doping (4\%) required for superconductivity to emerge. We capture material-specific properties such as the larger propensity of HgBa$_2$Ca$_{(n-1)}$Cu$_n$O$_{(2n+2)}$ to superconduct compared with Ca$_{(1+n)}$Cu$_{n}$O$_{2n}$Cl$_2$. We also find the coexistence of arcs and pockets observed with photoemission, the charge redistribution between copper and oxygen, and the link to the pseudogap. Our work establishes a framework for comprehensive studies of cuprates, enables detailed comparisons with experiment, and, through its \emph{ab initio} settings, unlocks opportunities for theoretical material design of high-temperature superconductors.

cond-mat.str-el↗

arXiv2025

On the cuprates' universal waterfall feature: evidence of a momentum-driven crossover

We study two related universal anomalies of the spectral function of cuprates, so called waterfall and high-energy kink features, by a combined cellular dynamical mean-field theory and angle-resolved photoemission study for the oxychloride Na$_x$Ca$_{2-x}$CuO$_2$Cl$_2$ (Na-CCOC). Tracing their origin back to an interplay of spin-polaron and local correlation effects both in undoped and hole-doped (Na-)CCOC, we establish them as a universal crossover between regions differing in the momentum dependence of the coupling and not necessarily in the related quasiparticles' energies. The proposed scenario extends to doping levels coinciding with the cuprate's superconducting dome and motivates further investigations of the fate of spin-polarons in the superconducting phase.

cond-mat.str-el↗

arXiv2023

Paramagnon dispersion and damping in doped Na$_{x}$Ca$_{2-x}$CuO$_2$Cl$_2$

Using Resonant Inelastic X-ray Scattering, we measure the paramagnon dispersion and damping of undoped, antiferromagnetic Ca$_2$CuO$_2$Cl$_2$ as well as doped, superconducting Na$_{x}$Ca$_{2-x}$CuO$_2$Cl$_2$. Our estimation of the spin-exchange parameter and width of the paramagnon peak at the zone boundary $X=(0.5,0)$ confirms that no simple relation can be drawn between these parameters and the critical temperature $T_\mathrm{c}$. Consistently with other cuprate compounds, we show that upon doping there is a slight softening at $(0.25,0)$, but not at the zone boundary $X$. In combination with these measurements we perform calculations of the dynamical spin structure factor of the one-band Hubbard model using cluster dynamical mean-field theory. The calculations are in excellent agreement with the experiment in the undoped case, both in terms of energy position and width. While the increase in width is also captured upon doping, the dynamical spin structure factor shows a sizable softening at $X$, which provides insightful information on the length-scale of the spin fluctuations in doped cuprates.

cond-mat.supr-con↗

arXiv2023

Formation of CuO$_2$ sublattices by suppression of interlattice correlations in tetragonal CuO

We investigate the tetragonal phase of the binary transition metal oxide CuO (t-CuO) within the context of cellular dynamical mean-field theory. Due to its strong antiferromagnetic correlations and simple structure, analysing the physics of t-CuO is of high interest as it may pave the way towards a more complete understanding of high temperature superconductivity in hole-doped antiferromagnets. In this work we give a formal justification for the weak coupling assumption that has previously been made for the interconnected sublattices within a single layer of t-CuO by studying the non-local self-energies of the system. We compute momentum-resolved spectral functions using a Matrix Product State (MPS)-based impurity solver directly on the real axis, which does not require any numerically ill-conditioned analytic continuation. The agreement with photoemission spectroscopy indicates that a single band Hubbard model is sufficient to capture the material's low energy physics. We perform calculations on a range of different temperatures, finding two magnetic regimes, for which we identify the driving mechanism behind their respective insulating state. Finally, we show that in the hole-doped regime the sublattice structure of t-CuO has interesting consequences on the symmetry of the superconducting state.

cond-mat.str-el↗

arXiv2022

Oxygen vacancies at the origin of pinned moments in oxide interfaces: the example of tetragonal CuO/SrTiO$_3$

Obtaining an accurate theoretical description of the emergent phenomena in oxide heterostructures is a major challenge. Recently, intriguing paramagnetic spin and pinned orbital moments have been discovered by x-ray magnetic circular dichroïsm measurements at the Cu $L_{2,3}$-edge of a tetragonal CuO/SrTiO$_3$ heterostructure. Using first principles calculations, we propose a scenario that explains both types of moments, based on the formation of oxygen vacancies in the TiO$_2$ interface layer. We show the emergence of a paramagnetic 2D electron gas hosted in the interface CuO layer. It is invisible at the Ti $L_{2,3}$-edge since the valence of the Ti atoms remains unchanged. Strong structural distortions breaking both the local and global fourfold rotation $C_4$ symmetries at the interface lead to the in-plane pinning of the Cu orbital moment close to the vacancy. Our results, and in particular the pinning of the orbital moment, may have implications for other systems, especially monoxide/dioxide interfaces with similar metal-oxygen bond length and weak spin-orbit coupling.

cond-mat.mtrl-sci↗