arXiv subjects

Francisco Munoz

Publications and source records attributed to Francisco Munoz.

4 recordsLinked to original sources

arXiv2026

Emergence of a Helical Metal in Rippled Ultrathin Topological Insulator Sb\textsubscript{2}Te\textsubscript{3} on Graphene

The integration of topological insulators (TIs) with graphene offers a pathway to engineer hybrid quantum states, yet the impact of strain at the 2D limit remains a critical open question. Here, we investigate the structural properties of ultrathin (1 quintuple layer) Sb$_2$Te$_3$ grown on single-layer graphene and, motivated by the structural modulations observed at the TI surface, explore theoretically how such nanoscale corrugations may influence the electronic behavior of the system. Using low-temperature scanning tunneling microscopy (LT-STM), we observe a periodic rippling of the heterostructure with a wavelength of ~$\sim8.7$ nm. Energetic analysis reveals that these ripples are not intrinsic but are driven by strain from the substrate during cooling. Density functional theory (DFT) calculations show that while the ideal flat heterostructure exhibits a hybridization gap of $\sim40$ meV, the ripple-induced structural modulation closes this gap, restoring a metallic state. This gapless phase is not a trivial metal. By combining an effective moiré ladder model with spin-resolved DFT, we find that the proximity-induced spin-orbit coupling is redistributed across a dense manifold of minibands. The resulting ``Helical Metal'' has a complex spin-texture beyond a simple Rashba splitting. Remarkably, while the flat system is effectively spinless in this ultrathin limit due to hybridization, the ripples actively restore the spin polarization. Our findings suggest that rippled TI/graphene heterostructures provide an interesting platform to develop spintronics, where geometric modulation unlocks dense helical states that are inaccessible in the pristine flat limit.

cond-mat.mes-hall↗

arXiv2025

Optical Properties and Spin States of Inter-layer Carbon Defect Pairs in Hexagonal Boron Nitride: A First-Principles Study

Substitutional carbon defects in hexagonal boron nitride (hBN) are prominent single photon emitters (SPEs), and their potential for spin activity ($S\geq1$) is particularly intriguing. While studies have largely focused on intra-layer defects, we employ density functional theory (DFT) to investigate inter-layer dimers of identical carbon species (C$_X$C$_X$). We demonstrate that these C$_X$C$_X$ pairs can exhibit a stable triplet spin state at room temperature when closely spaced (e.g., within 3.5-7.1 Å) across hBN layers. As their separation increases beyond this range (e.g., $>7$ Å), they transition into weakly interacting $S=1/2$ pairs, characterized by singlet-triplet degeneracy. This regime is predicted to result in a very small zero-field splitting for the triplet manifold, offering a potential explanation for certain optically detected magnetic resonance (ODMR) signals. The zero-phonon line (ZPL) energy of these inter-layer C$_X$C$_X$ pairs is found to be practically monochromatic and within the visible range. Furthermore, we identify specific C$_B$C$_B$ inter-layer configurations exhibiting atypical low-energy phonon replicas due to out-of-plane vibrational coupling, a finding that may clarify the vibronic structure of other hBN emitters, such as the 'yellow emitters'.

cond-mat.mtrl-sci↗

arXiv2024

Manipulating the wavelength of single photons in insulating van der Waals heterostructures: theory and application to bilayer hexagonal boron nitride

Van der Waals heterostructures are promising for adding new functionalities to two-dimensional materials. In this study, we focus on single photon emitters hosted in one layer and adjacent to other insulating two-dimensional material. Specifically, we show how the emission energy is modified by such a heterostructure. We developed a general approach to elucidate the mechanisms affecting the emission energy and studied the particular case of carbon substitutions in the hexagonal boron nitride bilayer.

cond-mat.mtrl-sci↗

arXiv2023

Carbon-based single photon emitters in hexagonal boron nitride with triplet ground state

Most single photon emitters in hexagonal boron nitride has been identified as carbon-based defects. These defects, when forming a donor-acceptor pair have spin $S\leq \frac{1}{2}$. By means of density functional calculations, we show that two non-adjacent carbon substitutional defects of the same type (i.e. C$_\mathrm{B}$-C$_\mathrm{B}$, and C$_\mathrm{N}$-C$_\mathrm{N}$), can have a triplet ground state. In particular, one of such defects has a zero phonon line energy of 2.5 eV, and its triplet state is nearly 0.5 eV more stable than its singlet.

cond-mat.mtrl-sci↗