arXiv subjects

Nicolas Baù

Publications and source records attributed to Nicolas Baù.

4 recordsLinked to original sources

arXiv2026

First-principles real-space embedding theory of the superconducting proximity effect

When a superconductor is placed in contact with a normal material, Cooper pairs penetrate the latter and induce superconductivity via the proximity effect. Despite its central role in quantum materials, superconducting devices and topological platforms, a predictive first-principles description of the proximity effect at realistic interfaces has remained computationally prohibitive so far. Here, we fill this gap by developing a Green's-function framework based on real-space dynamical embedding that enables first-principles simulations of superconducting proximity in mesoscopic systems. We show that the proximity effect admits a transparent diagrammatic formulation in terms of normal and anomalous embedding self-energies, which disentangle and quantify the distinct renormalization mechanisms generated by coupling to a superconducting bath. By combining this formalism with recursive schemes, we compute local spectral functions and proximity lengths extending over hundreds of nanometers into the bulk without resorting to thick interface slabs. We deploy the approach on tight-binding models (Qi-Hughes-Zhang and Fu-Kane-Mele), where we analyze mixed-parity superconductivity in topological insulators proximitized by $s$-wave superconductors, and on first-principles simulations of NbSe$_2$/CrBr$_3$ heterostructures based on density-functional theory and maximally-localized Wannier functions, the latter enabling direct comparison with scanning tunneling spectroscopy experiments. Our work provides a scalable and conceptually unified framework that bridges microscopic electronic structure and mesoscale proximity physics, enabling predictive atomistic simulations of superconducting interfaces.

cond-mat.supr-con↗

arXiv2025

Fluctuations and Correlations of Local Topological Order Parameters in Disordered Two-dimensional Topological Insulators

Two-dimensional topological insulators are characterized by an insulating bulk and conductive edge states protected by the nontrivial topology of the bulk electronic structure. They remain robust against moderate disorder until Anderson localization occurs and destroys the topological phase. Interestingly, disorder can also induce a topological phase - known as a topological Anderson insulator - starting from an otherwise pristine trivial phase. While topological invariants are generally regarded as global quantities, we argue that space-resolved topological markers can act as local order parameters, revealing the role of fluctuations and correlations in the local topology under Anderson disorder and vacancies. With this perspective, we perform numerical simulations of disorder-driven topological phase transitions in the Haldane and Kane-Mele models, using supercells with both open and periodic boundary conditions. We find that short-scale fluctuations of topological markers vanish upon coarse-graining, except at the topological phase transition, where their correlation length peaks and large-scale fluctuations remain. Notably, such a topological correlation function is characterized by critical exponents that appear universal across disorder types, yet they can resolve different topological phase transitions.

cond-mat.mes-hall↗

arXiv2024

Theory of local $\mathbb{Z}_{2}$ topological markers for finite and periodic two-dimensional systems

The topological phases of two-dimensional time-reversal symmetric insulators are classified by a $\mathbb{Z}_{2}$ topological invariant. Usually, the invariant is introduced and calculated by exploiting the way time-reversal symmetry acts in reciprocal space, hence implicitly assuming periodicity and homogeneity. Here, we introduce two space-resolved $\mathbb{Z}_{2}$ topological markers that are able to probe the local topology of the ground-state electronic structure also in the case of inhomogeneous and finite systems. The first approach leads to a generalized local spin-Chern marker, that usually remains well-defined also when the perpendicular component of the spin, $S_{z}$, is not conserved. The second marker is solely based on time-reversal symmetry, hence being more general. We validate our markers on the Kane-Mele model both in periodic and open boundary conditions, also in presence of disorder and including topological/trivial heterojunctions.

cond-mat.mes-hall↗

arXiv2024

Local Chern Marker for Periodic Systems

Topological invariants are global properties of the ground-state wave function, typically defined as winding numbers in reciprocal space. Over the years, a number of topological markers in real space have been introduced, allowing to map topological order in heterogeneous crystalline and disordered systems. Notably, even if these formulations can be expressed in terms of lattice-periodic quantities, they can actually be deployed in open boundary conditions only, as in practice they require computing the position operator $\mathbf{r}$ in a form that is ill-defined in periodic boundary conditions. Here we derive a local Chern marker for infinite two-dimensional systems with periodic boundary conditions in the large supercell limit, where the electronic structure is sampled with one single point in reciprocal space. We validate our approach with tight-binding numerical simulations on the Haldane model, including trivial/topological superlattices made of pristine and disordered Chern insulators. The strategy introduced here is very general and could be applied to other topological invariants and quantum-geometrical quantities in any dimension.

cond-mat.mes-hall↗