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Kevin J. U. Vidarte

Publications and source records attributed to Kevin J. U. Vidarte.

7 recordsLinked to original sources

Real-Space Spectral Approach to Orbital Magnetization

We present a real-space spectral method for computing the orbital magnetization of crystals. Starting from the commutator form of the orbital magnetization operator, we formulate an energy-resolved spectral function that is amenable to exact Chebyshev polynomial expansions and yields the total magnetization upon integration up to the Fermi level. This avoids the need for computing eigenstates and ground-state projects, providing an efficient numerical framework that is applicable to very large systems even in the presence of disorder and temperature. Our approach is benchmarked on the Haldane model, finding results that are in excellent agreement with the modern $k$-space formulation of orbital magnetization. Leveraging this technique, we extend our study to systems with uncorrelated disorder and point defects, and further show that the bulk Chern number can be directly obtained from the magnetization spectral density. These results open a promising route to investigate orbital responses and topological transitions in real-space models of quantum materials with realistic complexity.

cond-mat.mes-hall↗

Staggered orbital magnetization from itinerant electrons: orbital antiferro- and ferrimagnetic phases

Because electronic orbital angular momentum in solids is inherently non-local, its contribution to magnetism is usually cast in terms of a net orbital magnetization. Here, we show that itinerant electrons can generate orbital magnetic phases with ferromagnetic, antiferromagnetic, or ferrimagnetic orders. We demonstrate this possibility in a honeycomb lattice, using both the standard and a modified Haldane model. Employing real-space formulations, we decompose the itinerant orbital magnetization into sublattice contributions, $M_A$ and $M_B$. Their net ($M_z=M_A+M_B$) and staggered ($M_z^s=M_A-M_B$) combinations are then used to identify the orbital order. By varying the sublattice potential and the Fermi energy, we find distinct regimes: a (PT)-symmetric orbital antiferromagnet in the modified Haldane model, an orbital ferromagnet in the standard Haldane model, ferrimagnetic metallic states where net and staggered orbital magnetizations coexist, and insulating regimes in which the ferro- and antiferromagnetic orbital characters can be interchanged. These findings are explained by a low-energy theory in terms of two distinct valley mechanisms: valley-dependent Dirac masses in the standard Haldane model and valley-dependent energy shifts in its modified version.

cond-mat.mes-hall↗

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↗

Driving electronic features of twisted bilayer zigzag-graphene nanoribbons

Novel physical properties have been reported recently by stacking graphene-like systems in different configurations. Here, we explore the nature of emergent localized states at the edges of twisted bilayer graphene nanoribbons. Based on an extended tight-binding Hamiltonian, which includes hopping energy within a wide atomic neighborhood, we investigate the nature of the electronic states responsible for the transport along the four graphene nanoribbon terminals. The emphasis is on discussing the role of the stacking region symmetries, the twisted angle between the crossed zigzag nanoribbons, and also the width of the ribbons in the electronic and transport responses of the four terminals. Our findings show a direct connection between the number of non-equivalent sites on the edge of the stacking region and the localized states, in accordance with reported scanning tunneling spectroscopy measurements. Within the parameters explored, the twist angle was revealed to be the most powerful tool to control transport responses in the investigated 4-terminal devices, including special electronic beam splitter phenomena.

cond-mat.other↗

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↗

Quasicrystalline 30$^{\circ}$ twisted bilayer graphene: Fractal patterns and electronic localization properties

The recently synthesized 30$^\circ$ twisted bilayer graphene (30$^\circ$-TBG) systems are unique quasicrystal systems possessing dodecagonal symmetry with graphene's relativistic properties. We employ a real-space numerical atomistic framework that respects both the dodecagonal rotational symmetry and the massless Dirac nature of the electrons to describe the local density of states of the system. The approach we employ is very efficiency for systems with very large unit cells and does not rely on periodic boundary conditions. These features allow us to address a broad class of multilayer two-dimensional crystal with incommensurate configurations, particularly TBGs. Our results reveal that the 30$^\circ$-TBG electronic spectrum consist of extended states together with a set of localized wave functions. The localized states exhibit fractal patterns consistent with the quasicrystal tiling.

cond-mat.mes-hall↗

High-energy Landau levels in graphene beyond nearest-neighbor hopping processes: Corrections to the effective Dirac Hamiltonian

We study the Landau level spectrum of bulk graphene monolayers beyond the Dirac Hamiltonian with linear dispersion. We consider an effective Wannier-like tight-binding model obtained from ab initio calculations, that includes long-range electronic hopping integral terms. We employ the Haydock-Heine-Kelly recursive method to numerically compute the Landau level spectrum of bulk graphene in the quantum Hall regime and demonstrate that this method is both accurate and computationally much faster than the standard numerical approaches used for this kind of study. The Landau level energies are also obtained analytically for an effective Hamiltonian that accounts for up to third nearest neighbor hopping processes. We find an excellent agreement between both approaches. We also study the effect of disorder on the electronic spectrum. Our analysis helps to elucidate the discrepancy between theory and experiment for the high-energy Landau levels energies.

cond-mat.mes-hall↗