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Luis G. G. V. Dias da Silva

Publications and source records attributed to Luis G. G. V. Dias da Silva.

At least 19 recordsLinked to original sources

Ni-O hybridization as a stabilizer for $s^{\pm}$ superconductivity in La$_3$Ni$_2$O$_7$: a DFT+RPA study

The superconducting gap symmetry of high-pressure bilayer nickelates remains under debate, with weak- and strong-coupling approaches yielding different pairing tendencies. In this work, we investigate how the weak-coupling treatment of electronic states away from the Fermi level influences magnetic fluctuations and superconductivity in La$_3$Ni$_2$O$_7$. We employ a full-spectrum model based on orthonormalized projections of Kohn-Sham states onto local Ni-$e_g$ orbitals, which preserves the density-functional band structure while redistributing spectral weight over a wide energy range. Compared to a low-energy description, this approach yields enhanced interlayer spin fluctuations and a commensurate magnetic instability. Within a spin-fluctuation framework, these features favor a sign-changing $s^\pm$ superconducting state, whereas low-energy models tend to stabilize $d$-wave pairing. Our results suggest that interlayer coupling in full-energy models may play an important role in shaping the predicted pairing symmetry of bilayer nickelates.

cond-mat.supr-con↗

Robustness of RKKY interactions across a Weyl node-annihilation transition

Weyl semimetals (WSMs), with their unique topological properties and distinct electronic structure, exhibit intriguing properties when either time-reversal or inversion symmetries are broken. In this work, we consider the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between magnetic impurities in time-reversal symmetry-breaking WSMs. We derive analytical expressions for the full RKKY exchange tensor in arbitrary two-band spinful lattice systems. Our approach reveals both Heisenberg, anisotropic Ising and Dzyaloshinsky-Moriya terms, which can be calculated by energy-integrating real-space Green's functions across the entire Brillouin zone, with the band edge acting as a natural energy cutoff. We apply this framework to study a two-band tight-binding model for a time-reversal symmetry-breaking WSM that interpolates between a Weyl phase with well-separated chiral nodes and a quadratic band-touching semimetal phase. Remarkably, the spatial profile, magnitude, and anisotropic tensor structure of the exchange couplings remain persistent across the node-annihilation transition. This topological robustness reveals that short- and intermediate-range RKKY interactions are mediated by the global, Brillouin-zone-integrated quantum metric of the full valence band rather than being strictly dictated by local low-energy Berry curvature monopoles. These findings demonstrate the necessity of full-band tight-binding formulations when predicting real-space magnetic interactions, providing key insights for electric-field tuning of magnetic anisotropy and constructing realistic models of heavy-fermion and Weyl-Kondo semimetals.

cond-mat.mes-hall↗

Density waves in low-pressure bilayer nickelates

The low-pressure phase diagram of La$_3$Ni$_2$O$_7$ provides an important reference for understanding its pressure-induced high-temperature superconductivity. While the spin-density-wave transition at $T_{\text{SDW}}\approx150$ K is increasingly well established, the origin of the second density-wave transition at $T_{\text{DW}}\approx130$ K has remained unresolved. Here, we perform unrestricted Hartree-Fock calculations to investigate the potential origin of the second transition. {Within the orthorhombic phase, the degeneracy between possible ordering wavevectors at $\boldsymbol{Q}_{Y}=(0,π)$ and at $\boldsymbol{Q}_{X}=(π,0)$ is lifted and the electronic system} develops a double-stripe spin-density wave with ordering vector $\boldsymbol{Q}_{Y}=(0,π)$. We identify that the pure double stripe spin state is unstable in La$_3$Ni$_2$O$_7$ towards a commensurate charge-density wave instability, which favors a spin-modulated double stripe order with intertwined charge and spin instabilities and establish the hierarchy of ordered states in La$_3$Ni$_2$O$_7$. We further discuss our results in the context of available experimental literature and propose further experimental tests to elucidate the origin of the SDW/DW states in this system.

cond-mat.str-el↗

Onset of spin-valley order and Stoner boundaries in twisted WSe$_2$

We investigate spin-valley instabilities and their connection to the magnetically ordered states recently observed in the twisted bilayer dichalcogenide WSe$_2$ at a $5^o$ twist angle. Starting from an effective three-orbital faithful Wannier model for the spin-locked moiré bands, combined with orbital-dependent Hubbard interactions, we analyze the evolution of magnetic instabilities as a function of carrier density using the matrix random phase approximation (mRPA) approach. By computing the Stoner boundary lines from the spin-valley susceptibilities over the electric-field by hole filling phase diagram, we show that the spin-valley instabilities result in ordered states in the region close to the Lifshitz transition at the topmost moiré valence band, marked by crossing of the Van Hove singularity in the density of states. These spin-valley ordered states are dominated by interorbital spin-valley-flips involving the $MM$ and $MX$ moiré orbitals and occur at different momenta in each side of the Van Hove line, indicating a distinct spatial dependence of the spin-valley order parameter depending on the hole filling. Moreover, the corresponding Stoner boundaries exhibit strong fluctuations on its flanks, which can favor superconducting states in the regions close to the spin-valley-ordered ones. This mechanism provides a natural description for a reentrant superconducting dome consistent with the experimental results. As such, our results suggest spin-valley fluctuations near the Van Hove line as the microscopic origin of the reentrant superconductivity in twisted WSe$_2$.

cond-mat.supr-con↗

Suppression of the Mott insulating phase in the particle-hole asymmetric Hubbard model

We explore the phase diagram of the Mott metal-insulator transition (MIT), focusing on the effects of particle-hole asymmetry (PHA) in the single-band Hubbard model. Our dynamical mean-field theory (DMFT) study reveals that the introduction of PHA in the model significantly influences the critical temperature ($T_c$) and interaction strength ($U_c$), as well as the size of the co-existence region of metallic and insulating phases at low temperatures. Specifically, as the system is moved away from particle-hole symmetry, $T_c$ decreases and $U_c$ increases, indicating a suppression of the insulating phase and the strengthening of the metallic behavior. Additionally, the first-order transition line between metallic and insulating phases is better defined in the model with PHA, leading to a reduced co-existence region at $T<T_c$. Moreover, we propose that the MIT can be characterized by the charge density, which serves as a viable alternative to zero-frequency spectral density typically used in DMFT calculations. Our findings provide new insights into the role of particle-hole asymmetry in the qualitative and quantitative characterization of the MIT even in a very simple system.

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Interlayer interactions in $\text{La}_3\text{Ni}_2\text{O}_7$ under pressure: from $s^{\pm}$ to $d_{xy}$-wave superconductivity

We investigate the role of \emph{interlayer} interaction terms in the competition between different superconducting gap symmetries in the bilayer nickelate $\text{La}_3\text{Ni}_2\text{O}_7$ under high pressure. We study a two-layer, two-orbital electron model that encompasses both intra- and interlayer Coulomb interaction terms within the matrix random-phase approximation. We find that interlayer interactions favor a $d_{xy}$-wave superconducting pairing symmetry over the $s^{\pm}$-wave symmetry, which has been found to prevail when interlayer interactions are disregarded. Moreover, our findings indicate that interlayer interactions enhance the interorbital pairing, incorporating contributions from all three electron pockets, arising from both $d_{3z^2-r^2}$ and $d_{x^2-y^2}$ orbital character, resulting in nodes within the gap function (not present in the $s^{\pm}$-wave state) and consequently favoring the $d_{xy}$-wave pairing.

cond-mat.supr-con↗

Superconductivity from spin fluctuations and long-range interactions in magic-angle twisted bilayer graphene

Magic-angle twisted bilayer graphene (MATBG) has been extensively explored both theoretically and experimentally as a suitable platform for a rich and tunable phase diagram that includes ferromagnetism, charge order, broken symmetries, and unconventional superconductivity. In this work, we investigate the intricate interplay between long-range electron-electron interactions, spin fluctuations, and superconductivity in MATBG. By employing a low-energy model for MATBG that captures the correct shape of the flat bands, we explore the effects of short- and long-range interactions on spin fluctuations and their impact on the superconducting (SC) pairing vertex in the Random Phase Approximation (RPA). We find that the SC state is notably influenced by the strength of long-range Coulomb interactions. Interestingly, our RPA calculations indicate that there is a regime where the system can traverse from a magnetic phase to the SC phase by \emph{increasing} the relative strength of long-range interactions compared to the on-site ones. These findings underscore the relevance of electron-electron interactions in shaping the intriguing properties of MATBG and offer a pathway for designing and controlling its SC phase.

cond-mat.mes-hall↗

Charge and spin fluctuations in superconductors with intersublattice and interorbital interactions

Multiband superconductors have featured one of the main challenges to achieve a comprehensive understanding of unconventional superconductivity. Here, the multiband character is studied separately as orbital and sublattice degrees of freedom, as they have different effects for the superconducting and magnetic or charge orders. We build on the framework of the matrix random-phase approximation (RPA), which accounts for the RPA Feynman diagrams and also vertex corrections, to treat the electron-electron interactions in an off-site degenerate Hubbard model. As a result, systems without a sublattice degree of freedom tend to be dominated by spin fluctuations, while systems with multiple sublattice sites and orbitals have the charge fluctuations favored. Finally, we explicitly demonstrate that the known suppression of the superconducting pairing strength $λ$ by spin fluctuations from repulsive interactions at zero momentum transfer $\boldsymbol{q}$ is countered by the finite-$\boldsymbol{q}$ pairing, which always improves $λ$.

cond-mat.supr-con↗

Near zero-energy Caroli-de Gennes-Matricon vortex states in the presence of impurities

Caroli-de Gennes-Matricon (CdGM) states are localized states with a discrete energy spectrum bound to the core of vortices in superconductors. In topological superconductors, CdGM states are predicted to coexist with zero-energy, chargeless states widely known as Majorana zero modes (MZMs). Due to their energy difference, current experiments rely on scanning tunneling spectroscopy methods to distinguish between them. This work shows that electrostatic inhomogeneities can push trivial CdGM states arbitrarily close to zero energy in non-topological systems where no MZM is present. Furthermore, the BCS charge of CdGM states is suppressed under the same mechanism. Through exploration of the impurity parameter space, we establish that these two phenomena generally happen in consonance. Our results show that energy and charge shifts in CdGM may be enough to imitate the spectroscopic signatures of MZMs even in cases where the estimated CdGM level spacing (in the absence of impurities) is much larger than the typical experimental level broadening.

cond-mat.supr-con↗

Overlap of parafermionic zero modes at a finite distance

Parafermion bound states (PBSs) are generalizations of Majorana bound states (MBSs) and have been predicted to exist as zero-energy eigenstates in proximitized fractional quantum Hall edge states. Similarly to MBSs, a finite distance between the PBS can split the ground state degeneracy. However, parafermionic modes have a richer exchange statistics than MBSs, so several interaction terms are allowed by the underlying $\mathbb{Z}_{2n}$ symmetry, rendering the effective Hamiltonian governing a pair of PBSs at a finite distance nontrivial. Here, we use a combination of analytical techniques (semiclassical instanton approximation) and numerical techniques (quantum Monte Carlo simulations) to determine the effective coupling Hamiltonian. For this purpose, we go beyond the dilute one-instanton gas approximation and show how finite-size effects can give rise to higher-order parafermion interactions. We find excellent agreement between the analytical results and Monte Carlo simulations. We estimate that these finite-size corrections should be observable in some of the recently proposed experiments to observe PBSs in strongly correlated systems.

cond-mat.mes-hall↗

Edge $\mathbb{Z}_3$ parafermions in fermionic lattices

Parafermions modes are non-Abelian anyons which were introduced as $\mathbb{Z}_N$ generalizations of $\mathbb{Z}_2$ Majorana states. In particular, $\mathbb{Z}_3$ parafermions can be used to produce Fibonacci anyons, laying a path towards universal topological quantum computation. Due to their fractional nature, much of theoretical work on $\mathbb{Z}_3$ parafermions has relied on bosonization methods or parafermionic quasi-particles. In this work, we introduce a representation of $\mathbb{Z}_3$ parafermions in terms of purely fermionic models operators in the t-J regime. We establish the equivalency of a family of lattice fermionic models written in the $t-J$ model basis with a Kitaev-like chain supporting free $\mathbb{Z}_3$ parafermonic modes at its ends. By using density matrix renormalization group calculations, we are able to characterize the topological phase transition and study the effect of local operators (doping and magnetic fields) on the spatial localization of the parafermionic modes and their stability. Moreover, we discuss the necessary ingredients towards realizing $\mathbb{Z}_3$ parafermions in strongly interacting electronic systems.

cond-mat.str-el↗

Electric field-induced edge state oscillations in GaSb/InAs quantum wells

Inverted-gap GaSb/InAs quantum wells have long been predicted to show quantum spin Hall insulator (QSHI) behavior. The experimental characterization of the QSHI phase in these systems has relied on the presence of quantized edge transport near charge neutrality. However, experimental data showing the presence of edge conductance in the \emph{trivial} regime suggest that additional experimental signatures are needed to characterize the QSHI phase. Here we show that electric field- induced gap oscillations can be used as an indicator of the presence of helical edge states in system. By studying a realistic low-energy model GaSb/InAs quantum wells derived from $k \cdot p$ band theory, we show that such oscillations are bound to appear in narrow samples as the system is driven to the the the topological phase by the electric field. Our results can serve as a guide for the search of additional experimental signatures of the presence of topologically-protected helical edge states in GaSb/InAs systems.

cond-mat.mes-hall↗

Quantum dots as parafermion detectors

Parafermionic zero modes, $\mathbb{Z}_n$-symmetric generalizations of the well-known $\mathbb{Z}_2$ Majorana zero modes, can emerge as edge states in topologically nontrivial strongly correlated systems displaying fractionalized excitations. In this paper, we investigate how signatures of parafermionic zero modes can be detected by its effects on the properties of a quantum dot tunnel-coupled to a system hosting such states. Concretely, we consider a strongly-correlated 1D fermionic model supporting $\mathbb{Z}_4$ parafermionic zero modes coupled to an interacting quantum dot at one of its ends. By using a combination of density matrix renormalization group calculations and analytical approaches, we show that the dot's zero-energy spectral function and average occupation numbers can be used to distinguish between trivial, $\mathbb{Z}_4$ and $2\times \mathbb{Z}_2$ phases of the system. The present work opens the prospect of using quantum dots as detection tools to probe non-trivial topological phases in strongly correlated systems.

cond-mat.str-el↗

Enhanced Majorana bound states in magnetic chains on superconducting topological insulator edges

The most promising mechanisms for the formation of Majorana bound states (MBSs) in condensed matter systems involve one-dimensional systems (such as semiconductor nanowires, magnetic chains, and quantum spin Hall insulator (QSHI) edges) proximitized to superconducting materials. The choice between each of these options involves trade-offs between several factors such as reproducibility of results, system tunability, and robustness of the resulting MBS. In this article, we propose that a combination of two of these systems, namely a magnetic chain deposited on a QSHI edge in contact with a superconducting surface, offers a better choice of tunability and MBS robustness compared to magnetic chain deposited on bulk. We study how the QSHI edge interacts with the magnetic chain, and see how the topological phase is affected by edge proximity. We show that MBSs near the edge can be realized with lower chemical potential and Zeeman field than the ones inside the bulk, independently of the chain's magnetic order (ferromagnetic or spiral order). Different magnetic orderings in the chain modify the overall phase diagram, even suppressing the boundless topological phase found in the bulk for chains located at the QSHI edge. Moreover, we quantify the "quality" of MBSs by calculating the Majorana Polarization (MP) for different configurations. For chains located at the edge, the MP is close to its maximum value already for short chains. For chains located away from the edge, longer chains are needed to attain the same quality as chains located at the edge. The MP also oscillates in phase with the in-gap states, which is relatively unexpected as peaks in the energy spectrum corresponds to stronger overlap of MBSs.

cond-mat.mes-hall↗

Robustness of the Kondo effect in a quantum dot coupled to Majorana zero modes

The prospect of using semiconductor quantum dots as an experimental tool to distinguish Majorana zero modes (MZMs) from other zero-energy excitations such as Kondo resonances has brought up the fundamental question of whether topological superconductivity and the Kondo effect can coexist in these systems. Here, we study the Kondo effect in a quantum dot coupled to a metallic contact and to a pair of MZMs. We consider a situation in which the MBS are spin polarized in opposite directions. By using numerical renormalization-group calculations and scaling analysis of the renormalization group equations, we show that the Kondo effect takes place at low temperatures, regardless the coupling to the MZMs. Interestingly, we find that the Kondo singlet essentially decouples from the MZMs such that the residual impurity entropy can show local non-Fermi liquid properties characteristic of the single Majorana excitations. This offers the possibility of tuning between Fermi-liquid and non-Fermi-liquid regimes simply by changing the quantum dot-MZM couplings.

cond-mat.str-el↗

Quantitative comparison of Anderson impurity solvers applied to transport in quantum dots

We study the single impurity Anderson model (SIAM) using the equations of motion method (EOM), the non-crossing approximation (NCA), the one-crossing approximation (OCA), and Wilson's numerical renormalization group (NRG). We calculate the density of states and the linear conductance focusing on their dependence on the chemical potential and on the temperature paying special attention to the Kondo and Coulomb blockade regimes for a large range of model parameters. We report that some standard approximations based on the EOM technique display a rather unexpected poor behavior in the Coulomb blockade regime even at high temperatures. Our study offers a critical comparison between the different methods as well as a detailed compilation of the shortcomings and limitations due the approximations involved in each technique, thus allowing for a cost-benefit analysis of the different solvers that considers both numerical precision and computational performance.

cond-mat.str-el↗

Manipulating Majorana zero modes in double quantum dots

Majorana zero modes (MZMs) emerging at the edges of topological superconducting wires have been proposed as the building blocks of novel, fault-tolerant quantum computation protocols. Coherent detection and manipulation of such states in scalable devices are, therefore, essential in these applications. Recent detection proposals include semiconductor quantum dots (QDs) coupled to the end of these wires, as changes in the QD electronic spectral density due to the MZM coupling could be detected in transport experiments. Here, we propose that multi-QD systems can also be used to manipulate MZMs through precise control over the QDs' parameters. The simplest case where Majorana manipulation is possible is in a double quantum dot (DQD) geometry. By using exact analytical methods and numerical renormalization-group calculations, we show that the QDs' spectral functions can be used to characterize the presence or not of MZMs "leaking" into the DQD. More importantly, we find that these signatures respond to changes in the DQD parameters such as gate-voltages and couplings in a consistent fashion. Additionally, we show that different MZM-DQD coupling geometries ("symmetric" , "in-series" and "T-shaped" junctions) offer distinct ways in which MZMs can be switched from dot to dot. These results highlight the interesting possibilities that DQDs offer for all-electrical MZM control in scalable devices.

cond-mat.mes-hall↗

Gap oscillations and Majorana bound states in magnetic chains on superconducting honeycomb lattices

Magnetic chains on superconducting systems have emerged as a platform for realization of Majorana bound states (MBSs) in condensed matter systems with possible applications to topological quantum computation. In this work we study the MBSs formed in magnetic chains on two-dimensional honeycomb materials with induced superconductivity. We establish phase diagrams showing the topological regions (where MBSs appear), which are strongly dependent on the spiral angle along the chain of the magnetic moments. In particular, find large regions where the topological phase is robust even at large values of the local Zeeman field, thus producing topological regions without an upper bound. Moreover, we show that the energy oscillations of the MBSs can show very different behavior with magnetic field strength. In some parameter regimes we find increasing oscillations amplitudes and decreasing periods, while in the other regimes the complete opposite behavior is found with increasing magnetic field strength. We also find that the topological phase can become dependent on the chain length, particularly in topological regions with a very high or no upper bound. In these systems we see a very smooth evolution from MBSs localized at chain end points to in-gap Andreev bound states spread over the full chain.

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