arXiv subjects

Daniel Muñoz-Segovia

Publications and source records attributed to Daniel Muñoz-Segovia.

12 recordsLinked to original sources

arXiv2026

Cell Natural Orbitals in Interacting Topological Bands

Topological bands exhibit obstruction to exponentially localized and symmetric Wannier functions, challenging the standard paradigm of representing projected interactions in terms of local orbitals with finite range. To faithfully capture the form factors and quantum geometry of topological bands we introduce a singular-value decomposition of the band-projected density form factors, enabling a geometry-based truncation scheme of the Hilbert space, exposing an intrinsic hierarchy on band-projected interactions that is determined by the underlying wavefunctions. This decomposition is most naturally described in terms of Cell Natural Orbitals (CNOs), as the eigenstates of the unit-cell reduced one-particle density matrix, whose occupation provide a measure of the minimal orbital complexity required to faithfully represent the band wavefunctions overlaps. The CNO decomposition identifies systematically the minimal number of local orbitals needed to reproduce short-ranged interactions while resolving the hierarchy of interaction strengths across CNO channels. Applied to magic-angle twisted bilayer graphene in the chiral limit, we find that the dominant CNO is centered at the AA site, resembling the $f$-fermion of the heavy-fermion model. The subdominant CNO channels carry progressively weaker interaction matrix elements, allowing them to be treated at the static mean-field level, while the dominant channel requires a dynamical self-energy. The formalism illustrates how variations of charge density within the unit cell generate momentum dependence in the CNO envelope function and, consequently, dispersion in the single-particle spectral function. More broadly, our results establish CNOs as a geometry-informed bridge between band topology and real-space correlations, providing a systematic framework for analyzing interactions and emergent phases in quantum materials.

cond-mat.str-el↗

arXiv2026

Cell Natural Orbitals in Quantum Materials

Understanding correlated quantum matter starts with an accurate model of the single-particle states that interact at low energies: their dispersion, band geometry, orbital content and charge density. In many cases, notably the topological bands of moire materials, it is not straightforward to find a real-space description with a few local orbitals that accomplishes this task. Here we provide a systematic way to identify the local degrees of freedom that best capture the band geometry and charge density of any chosen set of bands. We use the unit-cell one-particle reduced density matrix (UC-1pRDM), obtained by restricting the projector onto the target bands to a single unit cell. Its eigenstates, which we call cell natural orbitals (CNOs), form a local, symmetric basis uniquely determined by the Bloch wavefunctions and the choice of real-space partition. Their eigenvalues measure the occupation of each CNO in the target bands, quantifying entanglement across unit-cell boundaries and the importance of multi-orbital character. A set of CNOs that maximizes total spectral weight and reproduces the target band symmetries provides optimal trial states for Wannierization. We exemplify this by constructing a lattice model for twisted bilayer WSe$_2$ that tracks the orbital content across twist angles.

cond-mat.mtrl-sci↗

arXiv2026

Optical probes of two-component pairing states in transition metal dichalcogenides

Signatures of unconventional superconductivity have been recently observed in certain transition metal dichalcogenides (TMDs), including 4H$_b$-TaS$_2$ and monolayer 2H-NbSe$_2$. While the pairing channel remains unknown, it has been argued that spin fluctuations can stabilize pairing in the two-component $E'$ channel, a $p$-wave spin-triplet state which could be consistent with some of the reported signatures. Exploiting the particular multi-orbital character of the Fermi surface and the presence of Ising spin-orbit coupling, which enable finite optical conductivity in the clean limit, in this work we predict clear-cut optical signatures to detect and distinguish the chiral and nematic ground states of the $E'$ pairing. We quantify how nematic $E'$ states produce a diagonal anisotropy $σ_{xx}\!\neq\!σ_{yy}$ due to the broken threefold symmetry ($C_3$), while chiral $E'$ states yield a finite optical Hall conductivity $σ_{xy}^H$ due to broken time-reversal symmetry, and find both signals could be detected in current experiments. For instance, for realistic gaps in the meV range, we predict a relative anisotropy $Δσ/σ\sim10^{-5}$ in the nematic states, and a polar Kerr rotation of $θ_K\!\sim\!10^{-5}$ rad in the chiral states. These symmetry fingerprints provide a practical route to distinguish nematic and chiral superconducting order in TMD superconductors.

cond-mat.supr-con↗

arXiv2025

Angle evolution of the superconducting phase diagram in twisted bilayer WSe2

Recent observations of superconductivity in twisted bilayer WSe$_2$ have extended the family of moiré superconductors beyond twisted graphene. In WSe$_2$ two different twist angles were studied, 3.65° and 5.0°, and two seemingly distinct superconducting phase diagrams were reported, raising the question of whether the superconducting phases in the two devices share a similar origin. Here we address the question by experimentally mapping the evolution of the phase diagram across devices with twist angles spanning the range defined by the initial reports, and comparing the results to twist angle-dependent theory. We find that the superconducting state evolves smoothly with twist angle and at all twist angles is proximal to a Fermi surface reconstruction with, presumably, antiferromagnetic ordering, but is neither necessarily tied to the Van Hove singularity, nor to the half band insulator. Our results connect the previously distinct phase diagrams at 3.65° and 5°, and offer new insight into the origin of the superconductivity in this system and its evolution as the correlation strength increases. More broadly, the smooth phase diagram evolution, repeatability between different devices, and dynamic gate tunability within each device, establish twisted transition metal dichalcogenides as a unique platform for the study of correlated phases as the ratio of interaction strength to bandwidth is varied.

cond-mat.mes-hall↗

arXiv2025

Doping-induced nematic and stripe orders within the charge density wave state of TiSe$_2$

In this work, we present a theory to address conflicting experimental claims regarding the charge density wave (CDW) state in TiSe$_2$, including whether there is a single or multiple CDW transitions and whether threefold rotation symmetry ($C_3$) is broken. Using a continuum $\boldsymbol{k}\cdot\boldsymbol{p}$ model coupled to the CDW order parameter, we show how commonplace conduction band doping induces a nematic transition from a $C_3$-symmetric $3Q$ CDW to a $C_3$-breaking $3Q$ CDW, which is favored by the large ellipticity of the conduction bands of TiSe$_2$. We also find that a $1Q$ stripe CDW is generically stabilized for sufficiently high electron doping. We then show how both stripe and nematic CDW states emerge self-consistently from a minimal interacting tight-binding model, for both positive and negative initial gaps. Our theory provides a new scenario in which, as temperature is lowered, a second $C_3$-breaking transition may occur or not depending on the doping level, potentially explaining the experimental variability. These predictions can be further verified with a variety of probes including transport, photoemission and tunneling.

cond-mat.str-el↗

arXiv2025

Twist-angle evolution of the intervalley-coherent antiferromagnet in twisted WSe$_2$

Recent experimental reports of correlated physics in twisted homobilayer WSe$_2$ have spurred interest in the interplay of electronic interactions and topology in this system. Here, we explore its phase diagram using the Hartree-Fock approximation within a three-orbital Wannier model of the bilayer. Our analysis reveals a dominant intervalley-coherent antiferromagnetic instability, whose stability in the space of twist angle, interaction strength, out-of-plane displacement field, and hole density is primarily set by nesting and commensurability. At large angles or low interaction-to-bandwidth ratios, the instability arises at hole densities above half filling near a van-Hove line where the strong Fermi surface nesting occurs due to the flatness of the band in a region enclosing the van-Hove and $κ$ points. Increasing interaction strength or decreasing the twist angle gradually shifts the ordered phase toward half filling, where the strongest antiferromagnetic order gets pinned due to commensurability effects that enable a full gap opening. The antiferromagnetic order parameter strongly couples to the layer polarization, which makes its transition to the normal state sharp in the strong-coupling limit and carries implications for collective modes. Our Hartree-Fock phase diagram reproduces key aspects of recent experiments and the reconstructed Fermi surfaces and DOS in the antiferromagnetic phase account for subtle transport signatures observed in these studies.

cond-mat.str-el↗

arXiv2025

Excitonic and magnetic phases in doped WTe$_2$ monolayers: a Hartree-Fock approach

Transport and local spectroscopy measurements have revealed that monolayers of tungsten ditelluride ($1T'$-WTe$_2$) display a quantum spin Hall effect and an excitonic gap at neutrality, besides becoming superconducting at low electron concentrations. With the aim of studying the competition among different broken-symmetry phases upon electron doping, we have performed extensive Hartree-Fock calculations as a function of electron density and Coulomb interaction strength. At charge neutrality, we reproduce the emergence of a spin density wave and a spin spiral state surrounding a quantum spin Hall insulator at intermediate interaction strengths. For stronger interactions, the spin spiral is disrupted by a state breaking both inversion and time-reversal symmetries (but not their product) before the system becomes a trivial band insulator. With electron doping the quantum spin Hall insulator evolves into an easy-plane ferromagnet due to a Stoner-like instability of the conduction band. This phase competes energetically with the spin spiral state. We discuss how our results may help to interpret past and future measurements.

cond-mat.str-el↗

arXiv2024

Ising domain wall networks from intertwined charge density waves in single-layer TiSe2

When the period of an incommensurate charge density wave (ICDW) approaches an integer multiple of a lattice vector, the energy gain obtained from locking the period to the lattice can lead to a fascinating transition into a commensurate state. This transition actually occurs through an intermediate near-commensurate (NC) phase, with locally commensurate regions separated by an ordered array of phase slips of a complex CDW order parameter. TiSe2 is a paradigmatic CDW system where incommensuration is believed to be induced by carrier doping, yet its putative NC state has never been imaged or its nature established. Here we report the observation of a striking NC state in ultraclean, slightly doped monolayers of TiSe2, displaying an intricate network of coherent, unidirectional CDW domain walls over hundreds of nanometers. Detailed analysis reveals these are not phase slips of a complex CDW, but rather sign-changing Ising-type domain walls of two coupled real CDWs of previously known symmetry, consistent with the period doubling nature of the parent commensurate state. In addition, we observe an unexpected nematic modulation at the original lattice Bragg peaks which couples to the CDW order parameters. A Ginzburg-Landau analysis naturally explains the couplings and relative modulations of all order parameters, unveiling TiSe2 as a rare example of an NC-CDW of two intertwined real modulations and emergent nematicity.

cond-mat.str-el↗

arXiv2023

Amorphous topological matter: theory and experiment

Topological phases of matter are ubiquitous in crystals, but less is known about their existence in amorphous systems, that lack long-range order. In this perspective, we review the recent progress made on theoretically defining amorphous topological phases and the new phenomenology that they can open. We revisit key experiments suggesting that amorphous topological phases exist in both solid-state and synthetic amorphous systems. We finish by discussing the open questions in the field, that promises to significantly enlarge the set of materials and synthetic systems benefiting from the robustness of topological matter.

cond-mat.mes-hall↗

arXiv2023

Structural spillage: an efficient method to identify non-crystalline topological materials

While topological materials are not restricted to crystals, there is no efficient method to diagnose topology in non-crystalline solids such as amorphous materials. Here we introduce the structural spillage, a new indicator that predicts the unknown topological phase of a non-crystalline solid, which is compatible with first-principles calculations. We illustrate its potential with tight-binding and first-principles calculations of amorphous bismuth, predicting a bilayer to be a new topologically nontrivial material. Our work opens up the efficient prediction of non-crystalline solids via first-principles and high-throughput searches.

cond-mat.mes-hall↗

arXiv2022

Observation of superconducting collective modes from competing pairing instabilities in single-layer NbSe$_2$

In certain unconventional superconductors with sizable electronic correlations, the availability of closely competing pairing channels leads to characteristic soft collective fluctuations of the order parameters, which leave fingerprints in many observables and allow to scrutinize the phase competition. Superconducting layered materials, where electron-electron interactions are enhanced with decreasing thickness, are promising candidates to display these correlation effects. In this work, we report the existence of a soft collective mode in single-layer NbSe$_2$, observed as a characteristic resonance excitation in high resolution tunneling spectra. This resonance is observed along with higher harmonics, its frequency $Ω/2Δ$ is anticorrelated with the local superconducting gap $Δ$, and its amplitude gradually vanishes by increasing the temperature and upon applying a magnetic field up to the critical values (T$_C$ and H$_{C2}$), which sets an unambiguous link to the superconducting state. Aided by a microscopic model that captures the main experimental observations, we interpret this resonance as a collective Leggett mode that represents the fluctuation towards a proximate f-wave triplet state, due to subleading attraction in the triplet channel. Our findings demonstrate the fundamental role of correlations in superconducting 2D transition metal dichalcogenides, opening a path towards unconventional superconductivity in simple, scalable and transferable 2D superconductors.

cond-mat.supr-con↗

arXiv2020

Many-body effects in nodal-line semimetals: correction to the optical conductivity

Coulomb interaction might have important effects on the physical observables in topological semimetals with vanishing density of states at the band touching due to the weak screening. In this work, we show that Kohn's theorem is not fulfilled in nodal-line semimetals (NLSMs), which implies non-vanishing interaction corrections to the conductivity. Using renormalized perturbation theory, we determine the first-order optical conductivity in a clean NLSM to be $σ_{\perp \perp}(Ω) = 2 σ_{\parallel \parallel}(Ω) = σ_0 [1 + C_2 α_R(Ω)]$, where $\perp$ and $\parallel$ denote the perpendicular and parallel components with respect to the nodal loop, $σ_0 = (2 πk_0) e^2/(16h)$ is the conductivity in the noninteracting limit, $2 πk_0$ is the nodal loop perimeter, $C_2 = (19-6π)/12 \simeq 0.013$ is a numerical constant and $α_R(Ω)$ is the renormalized fine structure constant in the NLSM. The analogies between NLSMs and 2D Dirac fermions are reflected in the universal character of the correction $C_2 α_R(Ω)$, which is exactly parallel to that of graphene. Finally, we analyze some experiments that have determined the optical conductivity in NLSMs, discussing the possibility of experimentally measuring our result.

cond-mat.str-el↗