arXiv subjects

Domenico Di Sante

Publications and source records attributed to Domenico Di Sante.

At least 19 recordsLinked to original sources

arXiv2026

Probing $L_z$ Orbital Angular Momentum via Wavefunction-Interference-Induced Charge Order

Orbital angular momentum (OAM) characterization is central to understanding quantum materials such as valley Hall and Rashba systems and, through its connection to Berry curvature, provides key insight into band topology. Conventional OAM detection via photoemission dichroism, however, is susceptible to interference artifacts and is largely restricted to occupied states. Here, we demonstrate a real-space approach to map the $L_z$ OAM character using scanning tunneling microscopy in triangular atomic monolayers. Unlike photoemission, this method exploits interference effects arising from the $L_z$ orbital phase and the Bloch phase associated with neighboring atoms. This shifts the local density of states (LDOS) maxima to distinct Wyckoff positions between atoms, encoding $L_z$ information into characteristic real-space LDOS patterns. We exemplify this approach in 2D quantum materials with contrasting $L_z$ sequences, namely Tl/Si(111) and In/SiC(0001) monolayers, identifying $L_z$-dependent LDOS accumulation associated with distinct topological phases in both systems. Our results establish $L_z$-dependent charge localization as a proxy to atomic obstruction for energetically isolated states in triangular lattices, including transition-metal dichalcogenides.

cond-mat.mtrl-sci↗

arXiv2026

Quantum-Geometric Amplification of Nonperturbative Interaction Scales

Weak interactions at a two-dimensional quadratic band touching (QBT) can generate an exponentially small symmetry-breaking gap, $m\sim e^{-A/V_1}$, that cannot be captured by every finite order of perturbation theory. We show that the singular quantum geometry of the gapped QBT converts this beyond-all-orders scale into an algebraically enhanced response. The quantum metric develops a momentum-space hot spot whose Brillouin-zone integral diverges logarithmically, and therefore grows algebraically when the gap is dynamically generated by interactions. Through the inverse-frequency Souza--Wilkens--Martin optical sum rule, the same amplification appears in the negative-first longitudinal optical moment, even though the ordinary optical conductivity remains $O(e^2/\hbar)$ and its absorption threshold is exponentially small. We establish these results analytically for a massive QBT and verify them microscopically in an interacting kagome lattice model known to develop a spontaneous quantum anomalous Hall mass at its QBT from loop currents order. Our results identify quantum geometry as an asymptotic amplifier of nonperturbative interaction scales.

cond-mat.str-el↗

arXiv2026

Experimental realization of the minimal two-dimensional multi-orbital kagome model

Kagome materials have emerged as a major platform for correlated and topological quantum matter, hosting flat bands, Dirac dispersions and van Hove singularities rooted in frustrated lattice geometry. While their essential physics is epitomized by the canonical single-orbital kagome model, real kagome materials are intrinsically multi-orbital and typically chemically and structurally complex, with additional three-dimensional coupling making kagome geometry and orbital degrees of freedom difficult to disentangle. Here we realize a truly two-dimensional, elemental two-orbital kagome system in monolayer Sb on SiC(0001). Substrate-induced orbital filtering isolates the in-plane Sb p_x/p_y orbitals into a six-band kagome manifold, establishing a chemically simple, minimal platform for multi-orbital kagome physics. We demonstrate two consequences that distinguish this system from the canonical single-orbital model. First, chemically enforced half filling pins the Fermi level to a closed nodal line, whose finite density of states drives a unit-cell-conserving breathing instability and opens a giant insulating gap. Second, we uncover orbital-resolved atomic obstruction: individual orbital-derived manifolds realize obstructed atomic limits, whereas their combined half-filled valence manifold is non-obstructed. Our results establish kagome antimonene as a benchmark system for exploring orbital-driven electronic, structural and topological kagome physics in the genuine two-dimensional limit.

cond-mat.mtrl-sci↗

arXiv2026

Competing lattice structures induced by Sn substitution in CsV$_3$Sb$_5$

Understanding the effect of chemical substitution on competing phases of kagome metals is crucial for disentangling the interplay between local structural distortions and electronic instabilities. In \cvs, Sn substitution strongly modifies the electronic phase diagram, yet the microscopic mechanism driving this remains unclear. Here, we combine $^{121}$Sb nuclear quadrupole resonance (NQR) measurements and density functional theory calculations to investigate the atomic-scale effects of Sn substitution in CsV$_3$Sb$_{5-x}$Sn$_x$. At low Sn concentrations, the observed satellite NQR peaks exhibit signatures of local structural distortion induced by Sn substitution, qualitatively consistent with our computational analysis. These impurity-induced features persist across the entire experimentally investigated doping range, up to $x$ = 0.65, and remain observable up to room temperature. For $x=1$, the fully doped idealized case, the estimated dynamical instabilities of the kagome lattice suggest the stabilization of two nearly energy-degenerate equilibrium structures characterized by V-trimers, distinguished by a zero- or $π$-phase shift between adjacent layers along the $c$-axis. Together, these results show that Sn substitution drives a complex interplay between local impurity-induced distortions and competing structural instabilities in vanadium-based kagome compounds.

cond-mat.str-el↗

arXiv2026

Observation of spin-free interatomic orbital angular momentum in a chiral crystal

The inherent spin-orbit interaction of electrons inevitably couples spin to the orbital angular momentum (OAM), posing a fundamental challenge to spin-free orbital transport. Here, we propose a novel strategy to achieve spin-decoupled OAM states in crystalline solids. Using angle-resolved photoemission spectroscopy (ARPES), we resolve well-isolated s-orbital bands in a chiral Te crystal, clearly separated from the p-orbital manifold. Combined circular dichroism ARPES and first-principles calculations reveal that these bands host OAM arising exclusively from interatomic hopping, with no intra-atomic contribution. Spin-resolved ARPES further confirms the absence of spin angular momentum (SAM), providing decisive evidence of spin-free OAM states. These findings establish the existence of OAM without spin polarization in crystalline solids and highlight the essential role of inter-atomic OAM. This work provides a general framework for designing spinless OAM states, opening an opportunity toward pure orbital currents for orbitronics.

cond-mat.mtrl-sci↗

arXiv2026

Orbital Hall Effect in Weyl Semimetals from quantum geometric band interference

Orbital angular momentum (OAM) transport in solids, prominently manifested in the orbital Hall effect, has emerged as a fundamental phenomenon that can decisively exceed its spin-based counterparts. However, the microscopic mechanisms governing OAM dynamics remain only partially understood. In particular, the role of band geometry in orbital transport is still largely unresolved. Here we address this question in the TaAs family of Weyl semimetals, TaAs, TaP, NbAs, and NbP, whose well-established topology and associated OAM textures make them an ideal platform in this context. Using ab initio density functional theory, complemented by a minimal Weyl model based on adiabatic perturbation theory, we establish --- both numerically and analytically --- a direct link between OAM transport, band geometry, and topological electronic structure.

cond-mat.mtrl-sci↗

arXiv2026

Chiral Phonons Coupled to Spin-Split Bands in Altermagnetic CrSb and MnTe

Altermagnets exhibit momentum-dependent spin splitting without net magnetization, providing a unique platform where magnetic order, electronic structure and lattice dynamics intertwine. Here, using first-principles calculations, we demonstrate that the prototypical altermagnets CrSb and MnTe host locally chiral phonon modes carrying finite phonon angular momentum with a six-lobes $f$-wave texture in momentum space. Our results show that the chiral lattice motion originates from the pnictogen/chalcogen sublattice, while the altermagnetic spin splitting is generated by the magnetic transition-metal atoms, indicating that chiral lattice dynamics and altermagnetic electronic states originate from different atomic sublattices of the same crystal. In pristine compounds, at each valley, inversion symmetry suppresses the net phonon angular momentum despite local circular atomic motion. We further demonstrate that isoelectronic symmetry lowering induced by chemical substitution lifts this cancellation and generates finite valley phonon chirality, while keeping the altermagnetic nature of the compounds intact. Most importantly, we reveal that chiral phonons couple to momentum-dependent spin-split electronic bands through momentum-dependent electron-phonon interaction, producing characteristic modifications of the electronic structure, possibly accessible by photoemission experiments. Our results establish altermagnets as a promising platform for chiral phononics and spin-selective lattice control.

cond-mat.mtrl-sci↗

arXiv2026

p-Wave Orbital Angular Momentum Texture in a Chiral Crystal

The spin and orbital angular momentum (SAM and OAM) are conceptually analogous, yet their roles in condensed matter systems have not been often treated on equal footing. While SAM has been extensively explored, OAM has long been regarded as quenched in crystalline environments and thus largely overlooked. Recent experimental and theoretical advances, however, have demonstrated that OAM can drive a variety of novel electronic phenomena, highlighting the importance of probing OAM textures in the electronic band structure. Here, we investigate the momentum-space OAM texture of (TaSe4)2I, a one-dimensional chiral crystal. Using circular-dichroism angle-resolved photoemission spectroscopy (CD-ARPES), we uncover a p-wave OAM texture accompanied by OAM dipole structures. This orbital p-wave texture is intimately connected to, and thus controllable by the chirality of the host lattice. Complementary spin-resolved ARPES measurements and first-principles calculations reveal that the OAM polarization overwhelmingly dominates the low-energy electronic properties of (TaSe4)2I, far exceeding the SAM polarization. These observations represent the experimental verification of a new type of OAM texture in crystalline materials. Most importantly, these findings underscore a promising material platform for spinless orbitronics applications and lay the foundation for realizing multipolar OAM textures-orbital counterparts of the spin texture in unconventional magnets.

cond-mat.mtrl-sci↗

arXiv2025

Tunable Electronic Correlations in 135-Kagome Metals

Kagome metals exhibit rich correlated-electron physics, yet a systematic understanding of the degree of correlation across transition-metal species remains elusive. Using density-functional theory plus multi-orbital slave-spin mean-field theory, we investigate electronic correlations in the Ti-, V-, and Cr-based 135 compounds with Sb and Bi pnictogens. We find that the significantly stronger degree of correlation of the Cr-based materials compared to Ti and V can only be explained through the synergy of two effects: the larger electron filling of the $d$-shell and the reduced characteristic kinetic energy. We put forward that the substitution of Sb with Bi strengthens correlations in all compounds and make the prediction that the-yet-to-be-synthesized CsCr$_3$Bi$_5$ must be the most strongly correlated member of the entire family. These findings provide a quantitative, band-structure-based framework for understanding and predicting correlation strength in Kagome metals.

cond-mat.str-el↗

arXiv2025

Chiral topological superconductivity in hole-doped Sn/Si(111)

A third monolayer of tin atoms on the semiconductor substrate Si(111) has been shown to become superconducting upon six to ten percent hole doping. Experiments have reported promising results hinting at a superconducting chiral $d$-wave order parameter. Here we examine Sn/Si(111) by combining most recent ab initio results, quasi-particle interference calculations, state-of-the-art truncated-unity functional renormalization group simulations and Bogoliubov-de Gennes analysis. We show remarkable agreement between experimental and theoretical quasi-particle interference data both in the metallic and superconducting regimes. The interacting phase diagram reveals that the superconductivity is indeed chiral $d$-wave with Chern number $C=4$. Surprisingly, magnetically ordered phases are absent, instead we find charge density wave order, as observed in related compounds, as a competing phase. Our results demonstrate that Sn/Si(111) is an outstanding candidate material for chiral topological superconductivity.

cond-mat.supr-con↗

arXiv2025

Kagome metals

Three important driving forces for creating qualitatively new phases in quantum materials are the topology of the materials' electronic band structures, frustration in the electrons' motion or magnetic interactions, and strong correlations between their charge, spin, and orbital degrees of freedom. In very few material systems do all of these aspects come together to contribute on an equal footing to stabilize new electronic states with unprecedented properties; however the search for such systems can be guided by models of configurational motifs or key sublattices that can host such physics. One of the most fascinating structural motifs for realizing this rich interplay of frustration, electronic topology, and electron correlation effects is the kagome lattice. In this review, we provide an overview of the theoretical underpinnings driving the physics of kagome lattices, and we then discuss experimental progress in realizing novel states enabled by kagome networks in crystalline materials. Different material classes are discussed with an emphasis on the phenomenologies of their electronic states and how they map to interactions arising from their kagome lattices.

cond-mat.str-el↗

arXiv2025

Theory of unconventional magnetism in a Cu-based kagome metal

Kagome metals have established a new arena for correlated electron physics. To date, the predominant experimental evidence centers around unconventional charge order, nematicity, and superconductivity, while magnetic fluctuations due to electronic interactions, i.e., beyond local atomic magnetism, have largely been elusive. We find the challenge of locating the appropriate parameter regime for such exotic order to center around two aspects. First, the correlations implied by low-energy orbitals have to be sufficiently large to yield a dominance of magnetic fluctuations and weak to retain an itinerant parent state. Second, the kinematic kagome profile at the Fermi level demands an efficient mitigation of sublattice interference causing the suppression of magnetic fluctuations descending from electronic on-site repulsion. We elucidate our methodology by analyzing the potential copper-based kagome compound CsCu$_3$Cl$_5$: From ab initio design and many-body analysis, we develop a model framework of realistic Cu-based kagome materials the simulations of which reveal unconventional magnetic order in a kagome metal.

cond-mat.str-el↗

arXiv2025

Continuum theory for topological phase transitions in exciton systems

An effective continuum theory is constructed for the topological phase transition of excitons in quasi-two-dimensional systems. These topological excitons crucially determine the optoelectronic properties, because of their larger binding energies in 2D as well as their topologically enhanced exciton transport. The core idea of this letter is, that the essential physics determining the topological invariants across the phase transition is localized near $N$-fold band-crossing points (BCPs) in the interaction-induced exciton band structure. The construction of the continuum theory around these BCPs needs only the information of exciton states that build up these BCPs at both $\mathbf{Q}=0$ and finite $\mathbf{Q}$ points, and not the numerically challenging solution of the Bethe-Salpeter equation over the full exciton Brillouin zone. This theory applies to systems with and without spin conservation. Our theory is illustrated in two specific examples: the transition metal dichalcogenide twisted bilayer systems and the Bernevig-Hughes-Zhang (BHZ) model. These results offer a promising route toward studying complex systems, such as the room-temperature quantum spin Hall system Bismuthene (Bi/SiC) and other twisted bilayer systems.

cond-mat.str-el↗

arXiv2025

Orbital-selective spin-triplet superconductivity in infinite-layer LaNiO$_2$

The discovery of superconductivity in infinite-layer nickelates has ignited stark interest within the scientific community, particularly regarding its likely unconventional origin. Conflicting magnetotransport measurements report either isotropic or anisotropic suppression of superconductivity in an external magnetic field, with distinct implications for the nature of superconducting order. In order to ensure a most suited model subject to subsequent many-body analysis, we develop a first-principles-guided minimal theory including Ni $d_{x^2-y^2}$, La $d_{3z^2-r^2}$, and La $d_{xy}$ orbitals. Amended by the consideration of orbital-selective pairing formation, which emphasises the correlation state of the Ni $3d_{x^2-y^2}$ orbital, we calculate the superconducting ordering susceptibility mediated by spin fluctuations. We find a parametric competition between even-parity $d$-wave and, in contrast to previous studies, odd-parity $p$-wave pairing, which becomes favorable through a large quasiparticle weight renormalization for Ni $3d_{x^2-y^2}$ electrons. Our findings not only shed light on the distinctiveness of LaNiO$_2$ as compared to cuprate superconductors or nickelates of different rare-earth composition but also suggest similarities to other candidate odd-parity superconductors.

cond-mat.supr-con↗

arXiv2025

Tuning electronic correlations in the Kagome metals $RT_3$B$_2$

The $RT_3$B$_2$ ($R=$Y, Lu, $T=$ Co, Os) family hosts a perfect kagome lattice of $T$ atoms, offering an interesting platform to investigate the interplay of electronic structure, superconductivity, and lattice dynamics. Here, we compare two members of this family, LuOs$_3$B$_2$ and YCo$_3$B$_2$, with similar crystallography but differing chemical composition, leading to distinct electronic correlation strengths and spin-orbit coupling effects. We confirm superconductivity in LuOs$_3$B$_2$ with $T_c = 4.75$K, while YCo$_3$B$_2$ remains non-superconducting above 1.8K. First-principles estimates of the electron-phonon coupling for LuOs$_3$B$_2$ are consistent with its observed $T_c$ and suggest a moderate coupling strength. Both materials exhibit kagome-derived electronic features, including quasi-flat bands, Dirac cones, and van Hove singularities. Fermi surface calculations reveal quasi-one-dimensional behavior along the $c$-axis in YCo$_3$B$_2$, in contrast to the more three-dimensional Fermiology of LuOs$_3$B$_2$. Phonon calculations for LuOs$_3$B$_2$ show imaginary modes, indicating potential lattice instabilities. Experimental estimates of the Wilson and Kadowaki-Woods ratios point to non-negligible electronic correlations in both compounds.

cond-mat.str-el↗

arXiv2025

Neural network distillation of orbital dependent density functional theory

Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has been approximated with increasing levels of complexity ranging from strictly local approximations to nonlocal and orbital-dependent expressions with many tuned parameters. In this paper, we formulate a general way of rewriting complex density functionals using deep neural networks in a way that allows for simplified computation of Kohn-Sham potentials as well as higher functional derivatives through automatic differentiation, enabling access to highly nonlinear response functions and forces. These goals are achieved by using a recently developed class of robust neural network models capable of modeling functionals, as opposed to functions, with explicitly enforced spatial symmetries. Functionals treated in this way are then called global density approximations and can be seamlessly integrated with existing DFT workflows. Tests are performed for a dataset featuring a large variety of molecular structures and popular meta-generalized gradient approximation density functionals, where we successfully eliminate orbital dependencies coming from the kinetic energy density, and discover a high degree of transferability to a variety of physical systems. The presented framework is general and could be extended to more complex orbital and energy dependent functionals as well as refined with specialized datasets.

physics.chem-ph↗

arXiv2025

Phonon fluctuation diagnostics: Origin of charge order in AV$_3$Sb$_5$ kagome metals

The microsopic origin of the charge-density wave (CDW) in AV$_3$Sb$_5$ (A = K, Rb, Cs) kagome metals remains a longstanding question, often revolving around electron-phonon coupling and purely electronic mechanisms involving Van Hove scenarios, nesting, and sublattice interference. To reveal the processes driving the CDW transition, we combine ab-initio calculations analysis of the phonon self-energy and angle-resolved photoemission spectroscopy (ARPES). Our momentum-resolved study, supported by ARPES data, reveals that lattice instabilities in the V-135 family of kagome metals appear to also be driven by electronic states far from high-symmetry points, where these states exhibit the strongest coupling with the phonon modes responsible for the CDW distortion. Footing on an interpretation scheme based on phonon fluctuation diagnostics, our work challenges and revises theories that so far have exclusively attributed CDW formation to nesting effects close to the Fermi level.

cond-mat.str-el↗

arXiv2025

Backscattering in Topological Edge States Despite Time-Reversal Symmetry

Spin-momentum-locked edge states of quantum spin Hall insulators (QSHIs) provide a compelling platform for spintronic applications, owing to their intrinsic protection against backscattering from non-magnetic disorder. This protection emerges from time-reversal symmetry, which pairs Kramers partners of helical edge modes with opposite spin and momentum, thereby strictly forbidding elastic single-particle backscattering within the pair. Yet, contrary to the idealized notion of linear edge bands, the non-monotonic dispersions of realistic materials can host multiple Kramers pairs, reintroducing backscattering channels between them without violating time-reversal symmetry. Here, we investigate inter-Kramers pair backscattering in the non-linear edge bands of the QSHI indenene, highlighting a critical aspect of edge-state stability. Using quasiparticle interference in scanning tunneling spectroscopy -- a direct probe of backscattering -- we observe pairwise coupling between energy-degenerate Kramers pairs, while energy regions with only a single Kramers pair remain strictly protected. Supported by theoretical analysis, our findings provide an unprecedented experimental demonstration of edge state backscattering fully consistent with their underlying topological protection. This insight has profound implications for numerous QSHI candidates, emphasizing that the mere presence of gap-traversing edge modes does not inherently guarantee their protection against backscattering.

cond-mat.mes-hall↗