arXiv subjects

Wendel S. Paz

Publications and source records attributed to Wendel S. Paz.

11 recordsLinked to original sources

arXiv2026

Surface lone-pair polarization probed by quantum-geometric transport in tellurium

Stereochemically active lone pairs are ubiquitous microscopic sources of polarity in molecules and solids, but their collective behavior in crystals is often hidden by symmetry or confined to surfaces. Here we show that quantum-geometry transport provides a sensitive probe of surface lone-pair polarization in trigonal tellurium. This surface polarization appears microscopically as an inversion-odd dipolar component of the crystal potential, which shifts the center of mass of Bloch wavepackets and produces quantum-geometric corrections to their velocity. We describe this lone-pair polar texture through a minimal three-component lattice model, and we show that the resulting linear and nonlinear transport coefficients probe, respectively, the second and first moments of the net polarization field. Because rectified voltages in tellurium flakes are directly proportional to the surface lone-pair polarization, our results provide a microscopic route to understanding and engineering polarization-driven, quantum-geometric electronic devices based on tellurium allotropes.

cond-mat.mes-hall↗

arXiv2026

Angular-resolved nonlinear optical response as a probe of Lorentz violation in noncentrosymmetric materials

We propose a methodology to detect weak Lorentz-violating (LV) backgrounds through the nonlinear shift photocurrent in noncentrosymmetric crystals. Using a spinful Rice--Mele model, we show that a LV background induces a momentum-odd correction to the Bloch Hamiltonian that reshapes the phase of the interband dipole matrix elements. As a result, the shift conductivity develops a robust $π$-periodic modulation as a function of the angle of a perpendicularly applied static electric field, in contrast to a weakly $2π$-periodic response of the Lorentz-symmetric case. This change in angular periodicity provides a signature of LV effects which can be directly identified through a photocurrent measurement. For realistic optical intensities, the predicted signal lies in the picoampere range, which can be enhanced in a matrix of weakly interacting chains, allowing sensitivity to LV coupling strengths of the order of $ξ\sim10^{-24}\,\mathrm{C\,m}$. These results establish nonlinear optical transport as a viable probe of emergent LV effects in solid-state systems.

cond-mat.mes-hall↗

arXiv2025

Enabling the bulk photovoltaic effect in centrosymmetric materials through an external electric field

We develop a practical approach to electrically tuning the nonlinear photoresponse of two-dimensional semiconductors by explicitly incorporating a static out-of-plane electric field into the electronic ground state prior to optical excitation, as a gate bias. The method is implemented by dressing a Wannier-interpolated Hamiltonian with the field through its position matrix elements, which allows the gate bias to modify orbital hybridization and band dispersion beyond perturbative treatments. Within the independent-particle approximation, the resulting second-order (shift) conductivity is evaluated for both centrosymmetric and non-centrosymmetric layered systems. Applied to MoS$_2$, the approach captures the emergence of a finite shift current in centrosymmetric bilayers and the tunability of intrinsic responses in polar structures. The shift conductivity rises linearly at small fields and saturates at higher intensities, reflecting the competition between the growing shift vector and the weakening interband coupling as resonant transitions move away from high-symmetry valleys. A Taylor expansion of the field-dressed conductivity connects this behavior to the third-order optical response, revealing a unified picture of field-induced nonlinearities. These results establish field dressing of Wannier Hamiltonians as a practical route to model and predict nonlinear photocurrents in layered materials.

cond-mat.mes-hall↗

arXiv2021

Few-layer antimonene electrical properties

Antimonene -- a single layer of antimony atoms -- and its few layer forms are among the latest additions to the 2D mono-elemental materials family. Numerous predictions and experimental evidence of its remarkable properties including (opto)electronic, energetic or biomedical, among others, together with its robustness under ambient conditions, have attracted the attention of the scientific community. However, experimental evidence of its electrical properties is still lacking. Here, we characterized the electronic properties of mechanically exfoliated flakes of few-layer (FL) antimonene of different thicknesses (~ 2-40 nm) through photoemission electron microscopy, kelvin probe force microscopy and transport measurements, which allows us to estimate a sheet resistance of ~ 1200 $Ω$sq$^{-1}$ and a mobility of ~ 150 cm$^2$V$^{-1}$s$^{-1}$ in ambient conditions, independent of the flake thickness. Alternatively, our theoretical calculations indicate that topologically protected surface states (TPSS) should play a key role in the electronic properties of FL antimonene, which supports our experimental findings. We anticipate our work will trigger further experimental studies on TPSS in FL antimonene thanks to its simple structure and significant stability in ambient environments.

cond-mat.mtrl-sci↗

arXiv2020

Consistency between ARPES and STM measurements on SmB$_6$

Strongly correlated topological surface states are promising platforms for next-generation quantum applications, but they remain elusive in real materials. The correlated Kondo insulator SmB$_6$ is one of the most promising candidates, with theoretically predicted heavy Dirac surface states supported by transport and scanning tunneling microscopy (STM) experiments. However, a puzzling discrepancy appears between STM and angle-resolved photoemission (ARPES) experiments on SmB$_6$. Although ARPES detects spin-textured surface states, their velocity is an order of magnitude higher than expected, while the Dirac point -- the hallmark of any topological system -- can only be inferred deep within the bulk valence band. A significant challenge is that SmB$_6$ lacks a natural cleavage plane, resulting in ordered surface domains limited to 10s of nanometers. Here we use STM to show that surface band bending can shift energy features by 10s of meV between domains. Starting from our STM spectra, we simulate the full spectral function as an average over multiple domains with different surface potentials. Our simulation shows excellent agreement with ARPES data, and thus resolves the apparent discrepancy between large-area measurements that average over multiple band-shifted domains and atomically-resolved measurements within a single domain.

cond-mat.str-el↗

arXiv2018

Observation of a well-defined hybridization gap and in-gap states on the SmB6 (001) surface

The rise of topology in condensed matter physics has generated strong interest in identifying novel quantum materials in which topological protection is driven by electronic correlations. Samarium hexaboride is a Kondo insulator for which it has been proposed that a band inversion between $5d$ and $4f$ bands gives rise to topologically protected surface states. However, unambiguous proof of the existence and topological nature of these surface states is still missing, and its low-energy electronic structure is still not fully established. Here we present a study of samarium hexaboride by ultra-low-temperature scanning tunneling microscopy and spectroscopy. We obtain clear atomically resolved topographic images of the sample surface. Our tunneling spectra reveal signatures of a hybridization gap with a size of about $8\ \mathrm{meV}$ and with a reduction of the differential conductance inside the gap by almost half, and surprisingly, several strong resonances below the Fermi level. The spatial variations of the energy of the resonances point towards a microscopic variation of the electronic states by the different surface terminations. High-resolution tunneling spectra acquired at $100\ \mathrm{mK}$ reveal a splitting of the Kondo resonance, possibly due to the crystal electric field.

cond-mat.str-el↗

arXiv2017

High current density electrical breakdown of TiS3 nanoribbon-based field-effect transistors

The high field transport characteristics of nanostructured transistors based on layered materials are not only important from a device physics perspective but also for possible applications in next generation electronics. With the growing promise of layered materials as replacements to conventional silicon technology, we study here the high current density properties of the layered material titanium trisulfide (TiS3). We observe high breakdown current densities up to 1.7 10^6 A/cm^2 in TiS3 nanoribbon-based field-effect transistors which are among the highest found in semiconducting nanomaterials. Investigating the mechanisms responsible for current breakdown, we perform a thermogravimetric analysis of bulk TiS3 and compare the results with density functional theory (DFT) and Kinetic Monte Carlo calculations. We conclude that oxidation of TiS3 and subsequent desorption of sulfur atoms plays an important role in the electrical breakdown of the material in ambient conditions. Our results show that TiS3 is an attractive material for high power applications and lend insight to the thermal and defect activated mechanisms responsible for electrical breakdown in nanostructured devices.

cond-mat.mes-hall↗

arXiv2016

Franckeite: a naturally occurring van der Waals heterostructure

The fabrication of van der Waals heterostructures, artificial materials assembled by individually stacking atomically thin (2D) materials, is one of the most promising directions in 2D materials research. Until now, the most widespread approach to stack 2D layers relies on deterministic placement methods which are cumbersome when fabricating multilayered stacks. Moreover, they tend to suffer from poor control over the lattice orientations and the presence of unwanted adsorbates between the stacked layers. Here, we present a different approach to fabricate ultrathin heterostructures by exfoliation of bulk franckeite which is a naturally occurring and air stable van der Waals heterostructure (composed of alternating SnS2-like and PbS-like layers stacked on top of each other). Presenting both an attractive narrow bandgap (<0.7 eV) and p-type doping, we find that the material can be exfoliated both mechanically and chemically down to few-layer thicknesses. We present extensive theoretical and experimental characterizations of the material's electronic properties and crystal structure, and explore applications for near-infrared photodetectors (exploiting its narrow bandgap) and for p-n junctions based on the stacking of MoS2 (n-doped) and franckeite (p-doped)

cond-mat.mes-hall↗

arXiv2015

Interaction between single vacancies in graphene sheet: An ab initio calculation

In order to investigate the interaction between single vacancies in a graphene sheet, we have used spin-polarized density functional theory (DFT). Two distinct configurations were considered, either with the two vacancies located in the same sublattice or in different sublattices, and the effect of changing the separation between the vacancies was also studied. Our results show that the ground state of the system is indeed magnetic, but the presence of the vacancies in the same sublattice or in different sublattices and the possible topological configurations can lead to different contributions from the $π$ and $σ$ orbitals to magnetism. On the other hand, our findings reveal that the net magnetic moment of the system with the two vacancies in the same sublattice move towards the value of the magnetic moment per isolated vacancy with the increase of the distance between the vacancies, which is ascribed to the different contributions due to $π$ electrons. Moreover, it is also found that the local magnetic moments for vacancies in the same sublattice are in parallel configuration, while they have different orientations when the vacancies are created in different sublattices. So, our findings have clearly evidenced how difficult it would be to observe experimentally the emergence of magnetic order in graphene-based systems containing randomly created atomic vacancies, since the energy difference between cases of antiferromagnetic and ferromagnetic order decreases quickly with the increase in the distance separating each vacancy pair.

cond-mat.mes-hall↗

arXiv2014

Hyperfine magnetic field in ferromagnetic graphite

Information on atomic-scale features is required for a better understanding of the mechanisms leading to magnetism in non-metallic, carbon-based materials. This work reports a direct evaluation of the hyperfine magnetic field produced at 13C nuclei in ferromagnetic graphite by nuclear magnetic resonance (NMR). The experimental investigation was made possible by the results of first-principles calculations carried out in model systems, including graphene sheets with atomic vacancies and graphite nanoribbons with edge sites partially passivated by oxygen. A similar range of maximum hyperfine magnetic field values (18-21T) was found for all systems, setting the frequency span to be investigated in the NMR experiments; accordingly, a significant 13C NMR signal was detected close to this range without any external applied magnetic field in ferromagnetic graphite.

cond-mat.mtrl-sci↗

arXiv2012

On the connection between structural distortion and magnetism in graphene with a single vacancy

The correlation between structural distortion and emergence of magnetism in graphene containing a single vacancy was investigated using first-principles calculations based on density functional theory (DFT). Our results have shown that a local distortion is formed around the vacancy, with reconstruction of two atomic bonds and with a dangling bond remaining at the third atom adjacent to the vacancy. A systematic investigation of the possible out-of-plane displacement of this third atom was then carried out, in order to ascertain its effects on the magnetic features of the system. The ground state was definitely found to be magnetic and planar, with spin-resolved $σ$ and $π$ bands contributing to the total magnetic moment. However, we have also found that metastable solutions can be achieved if an initial shift of the third atom above a minimum threshold from the graphene plane is provided, which leads to a non-planar geometry and a non-magnetic state.

cond-mat.mes-hall↗