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Eric Suárez Morell

Publications and source records attributed to Eric Suárez Morell.

15 recordsLinked to original sources

Topographic Disorder, Wind Coupling, and Directional Fire Spread: Critical Behavior in a Terrain-Weighted Forest Fire Model

We introduce the Terrain-Weighted Forest Fire Model (TFFM), a lattice model in which fire spreads on a spatially correlated Gaussian height field with the asymmetric bond probability $p_{i\to j}=\mathrm{clip}[e^{-β+γ(h_j-h_i)},0,1]$, plus an additive wind bias. Simulations on lattices up to $L=8192$ reveal a sharp active-to-inactive transition whose critical suppression threshold $β_c$ is even in $γ$, decreases with $|γ|$, and decreases as the terrain correlation length $σ_h$ is reduced: slope asymmetry acts as a suppressant because downhill bonds are penalized and fire stalls at local elevation maxima. For rough terrain and low tree density the fire fails to percolate even at zero suppression. Finite-size scaling on a fine $β$ grid at $L=2048$--$8192$ gives a correlation-length exponent $ν=1.8\pm0.17$ from both the susceptibility peak and the width of the transition, and a front-velocity exponent $δ=0.34\pm0.03$, identical for smooth and rough terrain; neither matches directed percolation ($ν_\perp=0.73$, $ν_\parallel-ν_\perp\approx0.56$) or isotropic percolation ($ν=4/3$, $\approx0.18$). The single-seed survival probability at $β_c$ is independent of $L$ and decays extremely slowly, with a running exponent falling from $\approx0.09$ to $\approx0.04$, excluding directed percolation and pointing to a survival probability that remains finite at criticality, consistent with the $L$-independent value $P^*\approx0.5$ at which $P_{\rm surv}$ drops to zero. Wind raises $β_c$ by a factor of $2$--$4$, produces a sharp onset of downwind fire-scar drift at weak coupling, and, at high terrain coupling, decreases the burned fraction at boundary crossing---a terrain-wind competition effect absent from isotropic bond-disorder models. The model yields fire-risk thresholds and fire-scar signatures comparable to satellite burn-scar data.

cond-mat.stat-mech↗

Tuning Boron-Vacancy Qubit Coherence through Layer Number in hBN

The negatively charged boron vacancy ($\VB$) in hexagonal boron nitride (\hBN{}) was the first optically addressable spin qubit identified inside a van der Waals crystal, allowing atomically defined placement relative to a target. Its coherence in bulk \hBN{} is limited by the boron nuclei of the layers flanking the defect plane, which a thin flake removes. Here, we use a generalized cluster-correlation expansion with an extended central-spin block to calculate the Hahn-echo coherence time of $\VB$ in h$^{11}$B$^{15}$N as a function of layer number. Our results show that $T_2$ rises from $199\ns$ in the bulk limit to $653\ns$ in a monolayer, a factor of $3.3$ that is already saturated at three layers and that a sublattice decomposition attributes entirely to boron. The enhancement is confined to low field, is insensitive to stacking registry and twist angle, and requires alignment to within about two degrees, an onset we reproduce with no free parameters. Under dynamical decoupling, a $1/e$ threshold returns $206\ns$ for every thickness, but this is a zero of the first-shell modulation rather than a decay: measured without a threshold, the layer contrast survives and reaches a factor of $170$. Layer number thus emerges as a design parameter for $\VB$-based sensing.

cond-mat.mes-hall↗

Symmetry selection rule for the band-edge shift current in two dimensions

The shift current is the intrinsic bulk photovoltaic response of a crystal without an inversion center. In graphene multilayers, calculations report large band-edge shift currents that reverse sign under a gate, a behavior that neither the quantum metric nor the Berry curvature captures. We show that this follows from a symmetry principle. At the absorption edge of a gapped, inversion-broken two-dimensional Dirac-like system, an emergent rotational symmetry forbids the response, and the trigonal warping switches it on linearly in its strength, an angular selection rule that unifies multilayer graphene and the kagome lattice. The released current is governed by a signed, detuning-weighted three-point Bargmann invariant: the optical amplitude stays fixed while the sign alignment of the Bargmann triangles grows with the warping, invisible to any positive-definite figure of merit. In bilayer and trilayer graphene the gate alone reverses the sign, making the band-edge shift current a gate-switchable bulk photovoltaic response.

cond-mat.mes-hall↗

Reaching maximum efficiency in quantum Stirling engines using multilayer graphene

In this work, quantum Stirling engines based on monolayer, AB-stacked bilayer, and ABC-stacked trilayer graphene under perpendicular magnetic fields are analyzed. Performance maps of the useful work \((ηW)\) reveal a robust optimum at low magnetic fields and moderately low temperatures, with all stackings capable of reaching Carnot efficiency under suitable configurations. The AB bilayer achieves this across the broadest parameter window while sustaining finite work, the monolayer exhibits highly constrained regimes, and the trilayer shows smoother trends with sizable \(ηW\). These results identify multilayer graphene, particularly the AB bilayer, as a promising platform for efficient Stirling engines, while also highlighting the versatility of the monolayer in realizing all four operational regimes of the Stirling cycle.

cond-mat.stat-mech↗

Unveiling the Electronic Origin of Anomalous Contact Conductance in Twisted Bilayer Graphene

This study theoretically investigates the contact conductance in twisted bilayer graphene (TBG), providing a theoretical explanation for recent experimental observations from scanning tunneling microscopy (STM) and conductive atomic force microscopy (c-AFM). These experiments revealed a surprising non-monotonic current pattern as a function of the TBG rotation angle $θ$, with a peak at $θ\approx 5^\circ$, a finding that markedly departs from the well-known magic angle TBG behavior. To elucidate this phenomenon, we develop a comprehensive theoretical and computational framework. Our calculations, performed on both relaxed and rigid TBG structures, simulate contact conductance by analyzing the local density of states across a range of biases and rotational angles. Contrary to the current interpretation, our results demonstrate that the maximum conductance at $θ\approx 5^{\rm o}$ is not caused by structural relaxation or AA stacking zone changes. Instead, we attribute this peak to the evolution of the electronic band structure, specifically the shifting of van Hove singularities (vHs) to the Fermi level as the twist angle decreases. We further show that the precise location of this conductance maximum is dependent on the applied bias voltage. This interplay between twist angle, bias, and vHs energy provides a robust explanation for the experimental findings.

cond-mat.mes-hall↗

Optimizing Hubbard U parameters for Enhanced Description of Electronic and Magnetic Properties in CrI$_3$ Monolayers and Bilayers

The magnetic properties of CrI$_3$ monolayers, which were recently measured, have been investigated considering electronic repulsion and localization effects in Cr 3d orbitals. In this study, we propose a DFT approach using Hubbard U corrections to improve accuracy. We compare the valence density-of-states using the HSE06 hybrid functional and the DFT+U approach, which includes U parameters for both Cr 3d and I 5p orbitals. The results of our study indicate that the optimal values for U(Cr$_{3d}$) and U(I$_{5p}$) are 3.5 eV and 2.0 eV, respectively. This approach is further applied to improve calculations of electronic and magnetic properties in CrI$_3$ monolayers and, more importantly, in bilayers combined with van der Waals functionals. These refinements hold promise for further studies of complex CrI$_3$ nanostructures, and may also be of interest for other trihalide few-layer systems.

cond-mat.mes-hall↗

Stoner ferromagnetism in low-angle twisted bilayer graphene at three-quarters filling

We present a theoretical investigation of the magnetic properties exhibited by twisted bilayer graphene (TBG) systems with small twist angles, where the appearance of flat minibands strongly enhances electron-electron interaction effects. We show that, at three-quarters filling of the conduction miniband, the Stoner mechanism induces a ferromagnetic polarization in the AA-stacking regions, which aligns with recent experimental observations. Our approach models the electronic properties by a tight-binding Hamiltonian combined with a Hubbard mean-field interaction term. We employ a real-space recursion technique to self-consistently calculate the system's local density of states and use our method to investigate the magnetic properties of small-angle TBG at three-quarters filling. The recursion method's $O({\cal N})$ efficiency makes it possible to address extremely large superlattices through a full real-space approach. We validate our procedure by comparing it with mean-field momentum-space calculations from the literature, which identify a magnetic phase in charge-neutral TBGs.

cond-mat.mes-hall↗

Universality of moiré physics in collapsed chiral carbon nanotubes

We report the existence of moiré patterns and magic angle physics in all families of chiral collapsed carbon nanotubes. A detailed study of the electronic structure of all types of chiral nanotubes, previously collapsed via molecular dynamics, has been performed. We find that each family possesses a unique geometry and moiré disposition, as well as a characteristic number of flat bands. Remarkably, all kinds of nanotubes behave the same with respect to magic angle tuning, showing a monotonic behavior that gives rise to magic angles in full agreement with those of twisted bilayer graphene. Therefore, magic angle behavior is universally found in chiral collapsed nanotubes with a small chiral angle, giving rise to moiré patterns. Our approach comprises first-principles and semi-empirical calculations of the band structure, density of states and spatial distribution of the localized states signaled by flat bands.

cond-mat.mtrl-sci↗

First-principles based Monte Carlo modeling of oxygen deficient Fe-substituted SrTiO$_3$ experimental magnetization

Ferroics based on transition-metal (TM) substituted SrTiO$_{3}$ have called much attention as magnetism and/or ferroelectricity can be tuned by using cations substitution and defects, strain and/or oxygen deficiency. C. A. Ross et al. [Phys. Rev. Applied 7, 024006 (2017)] demonstrated the SrTi$_{1-x}$Fe$_{x}$O$_{3-δ}$ (STF) magnetization behavior for different deposition oxygen-pressures, substrates and magnetic fields. The relation between oxygen deficiency and ferroic orders is yet to be well understood, for which the full potential of oxygen-stoichiometry engineered materials remain an open question. Here, we use hybrid-DFT to calculate different oxygen vacancy ($v_{o}$) states in STF with a variety of TM distributions. The resulting cations' magnetic states and alignments associated to the $v_{o}$ ground-states for $x=\{0.125,0.25\}$ are used within a Monte Carlo scope for collinear magnetism to simulate the spontaneous magnetization. Our model captures several experimental STF features i.e., display a maximum of the magnetization at intermediate number of vacancies, a monotonous quenching from $\sim{0.35}μ{_{B}}$ for small $δ$, and a slower decreasing of such saturation for larger number of vacancies. Moreover, our approach gives a further insight into the relations between defects stabilization and magnetization, vacancy density and the oxygen pressure required to maximize such ferroic order, and sets guidelines for future Machine Learning based computational synthesis of multiferroic oxides.

cond-mat.mtrl-sci↗

Ferroelectric response to interlayer shifting and rotations in trilayer hexagonal Boron Nitride

From monolayers composed of different atoms, we can build structures with spontaneous vertical polarization by conveniently stacking multiple layers. We have studied, using first-principles methods and based on modern polarization theory, a system composed of three layers of hexagonal Boron-Nitride(h-BN) in all possible stackings. We obtain for each of the configurations how charge transfers between the layers and how it impacts on the polarization of the system. In addition, we studied a system of three layers, one of them rotated, and we found that not only did the magnitude of the polarization increase comparing with the bilayer but also, depending on the initial stacking and the rotated layer, we can create a variety of mosaic-like polarization arrangements, which are composed of regions with either triangular or hexagonal symmetry.

cond-mat.mtrl-sci↗

V$_2$C-based lithium batteries: The influence of magnetic phase and Hubbard interaction

MXenes are a family of two-dimensional materials that could be attractive for use as electrodes in lithium batteries due to their high specific capacity. For this purpose, it is necessary to evaluate magnitudes such as the lithium adsorption energy and the magnitude of the open-circuit voltage for different lithium concentrations. In this paper, we show through first principles calculations that in a V$_2$C monolayer we must consider the high correlation between the electrons belonging to vanadium to obtain correct results of these quantities. We include this correlation employing the Hubbard coupling parameter obtained by a linear response method. We found that the system is antiferromagnetic and that the quantities studied depend on the magnetic phase considered. Indirectly, experimental results could validate the theoretical value of the theoretical Hubbard parameter.

cond-mat.mtrl-sci↗

One-dimensional moiré superlattices and flat bands in collapsed chiral carbon nanotubes

We demonstrate that one-dimensional moiré patterns, analogous to those found in twisted bilayer graphene, can arise in collapsed chiral carbon nanotubes. Resorting to a combination of approaches, namely, molecular dynamics to obtain the relaxed geometries and tight-binding calculations validated against ab initio modeling, we find that magic angle physics occur in collapsed carbon nanotubes. Velocity reduction, flat bands and localization in AA regions with diminishing moiré angle are revealed, showing a magic angle close to 1$^{\rm o}$. From the spatial extension of the AA regions and the width of the flat bands, we estimate that many-body interactions in these systems are stronger than in twisted bilayer graphene. Chiral collapsed carbon nanotubes stand out as promising candidates to explore many-body effects and superconductivity in low dimensions, emerging as the one-dimensional analogues of twisted bilayer graphene.

cond-mat.mtrl-sci↗

One-way transport in laser-illuminated bilayer graphene: A Floquet isolator

We explore the Floquet band-structure and electronic transport in laser-illuminated bilayer graphene. By using a bias voltage perpendicular to the graphene bilayer we show how to get one-way charge and valley transport among two unbiased leads. In contrast to quantum pumping, our proposal uses a different mechanism based on generating a non-reciprocal bandstructure with a built-in directionality. The Floquet states at one edge of a graphene layer become hybridized with the continuum on the other layer, and so the resulting bandstructure allows for one-way transport as in an \textit{isolator}. Our proof-of-concept may serve as a building block for devices exploiting one-way states.

cond-mat.mes-hall↗

Twisted bilayer blue phosphorene: A direct band gap semiconductor

We report that two rotated layers of blue phosphorene behave as a direct band gap semiconductor. The optical spectrum shows absorption peaks in the visible region of the spectrum and in addition the energy of these peaks can be tuned with the rotational angle. These findings makes twisted bilayer blue phosphorene a strong candidate as a solar cell or photodetection device. Our results are based on ab initio calculations of several rotated blue phosphorene layers.

cond-mat.mes-hall↗

Edge states of moiré structures in graphite

We address the origin of bead-like edge states observed by scanning tunneling microscopy (STM) in moiré patterns of graphite. Low-bias scanning tunneling spectroscopy measurements indicate these edge states are centered around AB stacking sites, contrarily to the common assumption of them being at AA sites. This shift of the intensity of the beads with respect to the bulk moiré pattern has been corroborated by a tight-binding calculation of the edge states in bilayer nanoribbons. Our results are valid not only for graphite but also for few-layer graphene, where these states have also been recently observed.

cond-mat.mes-hall↗