arXiv subjects

Stephan Roche

Publications and source records attributed to Stephan Roche.

At least 37 records · Page 2Linked to original sources

arXiv2025

Scaling of the Integrated Quantum Metric in Disordered Topological Phases

We report a study of a disorder-dependent real-space representation of the quantum geometry in topological systems. Thanks to the development of an efficient linear-scaling numerical methodology based on the kernel polynomial method, we can explore nontrivial behavior of the integrated quantum metric and Chern number in disordered systems with sizes reaching the experimental scale. We illustrate this approach in the disordered Haldane model, examining the impact of Anderson disorder and vacancies on the trivial and topological phases captured by this model.

cond-mat.dis-nn↗

arXiv2025

2D Hexagonal Boron Nitride-based Anticorrosion Coatings

The corrosion of metallic surfaces poses significant challenges across industries such as petroleum, energy, and biomedical sectors, leading to structural degradation, safety risks, and substantial maintenance costs. Traditional organic and metallic coatings provide some protection, but their limited durability and susceptibility to harsh environmental conditions necessitate the development of more advanced and efficient solutions. This has driven significant interest in two-dimensional (2D) materials, with graphene extensively studied for its exceptional mechanical strength and impermeability to gases and ions. However, while graphene offers short-term corrosion protection, its high electrical conductivity presents a long-term issue by promoting galvanic corrosion on metal surfaces. In contrast, hexagonal boron nitride (h-BN) has emerged as a promising alternative for anticorrosion coatings. h-BN combines exceptional chemical stability, impermeability, and electrical insulation, making it particularly suited for long-term protection in highly corrosive or high-temperature environments. While h-BN holds promise as anticorrosion material, challenges such as structural defects, agglomeration of nanosheets, and poor dispersion within coatings limit its performance. This review provides a comprehensive analysis of recent advancements in addressing these challenges, including novel functionalization strategies, scalable synthesis methods, and hybrid systems that integrate h-BN with complementary materials. By bridging the gap between fundamental research and industrial applications, this review outlines the potential for h-BN to revolutionize anticorrosion technologies. These obstacles necessitate advanced strategies such as surface functionalization to improve compatibility with polymer matrices and dispersion optimization to minimize agglomeration.

cond-mat.mtrl-sci↗

arXiv2025

Disorder-Induced Delocalization in Magic-Angle Twisted Bilayer Graphene

Flat bands in moiré systems are exciting new playgrounds for the generation and study of exotic many-body physics phenomena in low-dimensional materials. Such physics is attributed to the vanishing kinetic energy and strong spatial localization of the flat-band states. Here we use numerical simulations to examine the electronic transport properties of such flat bands in magic-angle twisted bilayer graphene in the presence of disorder. We find that while a conventional downscaling of the mean free path with increasing disorder strength occurs at higher energies, in the flat bands the mean free path can actually increase with increasing disorder strength.This phenomenon is also captured by the disorder-dependent quantum metric, which is directly linked to the ground state localization.This disorder-induced delocalization suggests that weak disorder may have a strong impact on the exotic physics of magic-angle bilayer graphene and other related moiré systems.

cond-mat.mes-hall↗

arXiv2024

Upper limit of spin relaxation in suspended graphene

We use a combination of molecular dynamics and quantum transport simulations to investigate the upper limit of spin transport in suspended graphene. We find that thermally-induced atomic-scale corrugations are the dominant factor, limiting spin lifetimes to ~10 ns by inducing a strongly-varying local spin-orbit coupling. These extremely short-range corrugations appear even when the height profile appears to be smooth, suggesting they may be present in any graphene device. We discuss our results in the context of experiments, and briefly consider approaches to suppress these short-range corrugations and further enhance spin lifetimes in graphene-based spin devices.

cond-mat.mes-hall↗

arXiv2024

Orbital Hall Responses in Disordered Topological Materials

We report an efficient numerical approach to compute the different components of the orbital Hall responses in disordered topological materials from the Berry phase theory of magnetization. The theoretical framework is based on the Chebyshev expansion of Green's functions and the off-diagonal elements of the position operator for systems under arbitrary boundary conditions. The capability of this scheme is shown by computing the orbital Hall conductivity for gapped graphene and the Haldane model in the presence of nonperturbative disorder effects. This methodology enables realistic simulations of orbital Hall responses in highly complex models of disordered materials.

cond-mat.mes-hall↗

arXiv2024

Robust quantum engineering of current flow in carbon nanostructures at room temperature

Bottom-up on-surface synthesis enables the fabrication of carbon nanostructures with atomic precision. Good examples are graphene nanoribbons (GNRs), 1D conjugated polymers, and nanoporous graphenes (NPGs), which are gathering increasing attention for future carbon nanoelectronics. A key step is the ability to manipulate current flow within these nanomaterials. Destructive quantum interference (QI), long studied in the field of single-molecule electronics, has been proposed as the most effective way to achieve such control with molecular-scale precision. However, for practical applications, it is essential that such QI-engineering remains effective near or above room temperature. To assess this important point, here we combine large-scale molecular dynamics simulations and quantum transport calculations and focus our study on NPGs formed as arrays of laterally bonded GNRs. By considering various NPGs with different inter-GNR chemical connections we disentangle the different factors determining electronic transport in these carbon nanomaterials at 300 K. Our findings unequivocally demonstrate that QI survives at room temperature, with thermal vibrations weakly restricting current flow along GNRs while completely blocking transport across GNRs. Our results thus pave the way towards the future realization of QI-engineered carbon nanocircuitry operating at room temperature, which is a fundamental step towards carbon-based nanoelectronics and quantum technologies.

cond-mat.mes-hall↗

arXiv2024

Resilient Intraparticle Entanglement and its Manifestation in Spin Dynamics of Disordered Dirac Materials

Topological quantum matter exhibits novel transport phenomena driven by entanglement between internal degrees of freedom, as for instance generated by spin-orbit coupling effects. Here we report on a direct connection between the mechanism driving spin relaxation and the intertwined dynamics between spin and sublattice degrees of freedom in disordered graphene. Beyond having a direct observable consequence, such intraparticle entanglement is shown to be resilient to disorder, pointing towards a novel resource for quantum information processing.

cond-mat.mes-hall↗

arXiv2024

Wavefunction collapse driven by non-Hermitian disturbance

In the context of the measurement problem, we propose to model the interaction between a quantum particle and an "apparatus" through a non-Hermitian Hamiltonian term. We simulate the time evolution of a normalized quantum state split into two spin components (via a Stern-Gerlach experiment) and that undergoes a wave-function collapse driven by a non-Hermitian Hatano-Nelson Hamiltonian. We further analyze how the strength and other parameters of the non-Hermitian perturbation influence the time-to-collapse of the wave function obtained under a Schrödinger-type evolution. We finally discuss a thought experiment where manipulation of the apparatus could challenge standard quantum mechanics predictions.

quant-ph↗

arXiv2024

Giant Spin-Orbit Torque in Cr-based Janus Transition Metal Dichalcogenides

We report a very large spin-orbit torque (SOT) capability of chromium-based transition metal dichalcogenides (TMD) in their Janus forms CrXTe, with X=S,Se. The structural inversion symmetry breaking, inherent to Janus structures is responsible for a large SOT response generated by giant Rashba splitting, equivalent to that obtained by applying a transverse electric field of $\sim 100 \,\text{V} \,\text{nm}^{-1}$ in non-Janus CrTe\textsubscript{2}, completely out of experimental reach. By performing transport simulations on custom-made Wannier tight-binding models, Janus systems are found to exhibit a SOT performance comparable to the most efficient two-dimensional materials, while allowing for field-free perpendicular magnetization switching owing to their reduced in-plane symmetry. Altogether, our findings evidence that magnetic Janus TMDs stand as suitable candidates for ultimate SOT-MRAM devices.

cond-mat.mtrl-sci↗

arXiv2024

Exploring Dielectric Properties in Models of Amorphous Boron Nitride

We report a theoretical study of dielectric properties of models of amorphous Boron Nitride, using interatomic potentials generated by machine learning. We first perform first-principles simulations on small (about $100$ atoms in the periodic cell) sample sizes to explore the emergence of mid-gap states and its correlation with structural features. Next, by using a simplified tight-binding electronic model, we analyse the dielectric functions for complex three dimensional models (containing about $10.000$ atoms) embedding varying concentrations of ${\rm sp^{1}, sp^{2}}$ and ${\rm sp^3}$ bonds between B and N atoms. Within the limits of these methodologies, the resulting value of the zero-frequency dielectric constant is shown to be influenced by the population density of such mid-gap states and their localization characteristics. We observe nontrivial correlations between the structure-induced electronic fluctuations and the resulting dielectric constant values. Our findings are however just a first step in the quest of accessing fully accurate dielectric properties of as-grown amorphous BN of relevance for interconnect technologies and beyond.

cond-mat.mtrl-sci↗

arXiv2023

Impact of Hydrogenation on the Stability and Mechanical Properties of Amorphous Boron Nitride

Interconnect materials with ultralow dielectric constant, and good thermal and mechanical properties are crucial for the further miniaturization of electronic devices. Recently, it has been demonstrated that ultrathin amorphous boron nitride (aBN) films have a very low dielectric constant, high density (above 2.1 g/cm3), high thermal stability, and mechanical properties. The excellent properties of aBN derive from the nature and degree of disorder, which can be controlled at fabrication, allowing tuning of the physical properties for desired applications. Here, we report an improvement in the stability and mechanical properties of amorphous boron nitride upon hydrogen doping. With the introduction of a Gaussian approximation potential (GAP) for atomistic simulations, we investigate the changing morphology of amorphous boron nitride with varying H doping concentrations. We found that for 8 at% of H doping, the concentration of $sp^3$-hybridized atoms reaches a maximum which leads to an improvement of thermal stability and mechanical properties by 20%. These results will be a guideline for experimentalists and process engineers to tune the growth conditions of amorphous boron nitride films for numerous applications.

cond-mat.mtrl-sci↗

arXiv2023

Open-orbit induced low field extremely large magnetoresistance in graphene/h-BN superlattices

We report intriguing and hitherto overlooked low-field room temperature extremely large magnetoresistance (XMR) patterns in graphene/hexagonal boron nitride (h-BN) superlattices that emerge due to the existence of open orbits within each miniband. This finding is set against the backdrop of the experimental discovery of the Hofstadter butterfly in moir superlattices, which has sparked considerable interest in the fractal quantum Hall regime. To cope with the challenge of deciphering the low magnetic field dynamics of moir minibands, we utilize a novel semi-classical calculation method, grounded in zero-field Fermi contours, to predict the nontrivial behavior of the Landau-level spectrum. This is compared with fully quantum simulations, enabling an in-depth and contrasted analysis of transport measurements in high-quality graphene-hBN superlattices. Our results not only highlight the primary observation of the open-orbit induced XMR in this system but also shed new light on other intricate phenomena. These include the nuances of single miniband dynamics, evident through Lifshitz transitions, and the complex interplay of semiclassical and quantum effects between these minibands. Specifically, we document transport anomalies linked to trigonal warping, a semiclassical deviation from the expected linear characteristics of Landau levels, and magnetic breakdown phenomena indicative of quantum tunneling, all effects jointly contributing to the intricacies of a rich electronic landscape uncovered at low magnetic fields.

cond-mat.mes-hall↗

arXiv2023

Giant Spin Transport Anisotropy in Magnetic Topological Insulators

We report on exceptionally long spin transport and giant spin lifetime anisotropy in the gapped surface states of three-dimensional (3D) magnetic topological insulators (MTIs). We examine the properties of these states using the Fu-Kane-Mele Hamiltonian in presence of a magnetic exchange field. The corresponding spin textures of surface states, which are well reproduced by an effective two-band model, hint at a considerable enhancement of the lifetime of out-of-plane spins compared to in-plane spins. This is confirmed by large-scale spin transport simulations for 3D MTIs with disorder. The energy dependence of the spin lifetime anisotropy arises directly from the nontrivial spin texture of the surface states, and is correlated with the onset of the quantum anomalous Hall phase. Our findings suggest novel spin filtering capabilities of the gapped surface MTI states, which could be explored by Hanle spin precession measurements.

cond-mat.mes-hall↗

arXiv2023

Emerging Spin-Orbit Torques in Low Dimensional Dirac Materials

We report a theoretical description of novel spin-orbit torque components emerging in two-dimensional Dirac materials with broken inversion symmetry. In contrast to usual metallic interfaces where field-like and damping-like torque components are competing, we find that an intrinsic damping-like torque which derives from all Fermi-sea electrons can be simultaneously enhanced along with the field-like component. Additionally, hitherto overlooked torque components unique to Dirac materials, emerge from the coupling between spin and pseudospin degrees of freedom. These torques are found to be resilient to disorder and could enhance the magnetic switching performance of nearby magnets.

cond-mat.mes-hall↗

arXiv2023

Spin-orbit torque emerging from orbital textures in centrosymmetric materials

We unveil a hitherto concealed spin-orbit torque mechanism driven by orbital degrees of freedom in centrosymmetric two-dimensional transition metal dichalcogenides (focusing on PtSe${}_2$ ). Using first-principles simulations, tight-binding models and large-scale quantum transport calculations, we show that such a mechanism fundamentally stems from a spatial localization of orbital textures at opposite sides of the material, which imprints their symmetries onto spin-orbit coupling effects, further producing efficient and tunable spin-orbit torque. Our study suggests that orbital-spin entanglement at play in centrosymmetric materials can be harnessed as a resource for outperforming conventional spin-orbit torques generated by the Rashba-type effects.

cond-mat.mes-hall↗

arXiv2023

Tailoring giant quantum transport anisotropy in disordered nanoporous graphenes

During the last 15 years bottom-up on-surface synthesis has been demonstrated as an efficient way to synthesize carbon nanostructures with atomic precision, opening the door to unprecedented electronic control at the nanoscale. Nanoporous graphenes (NPGs) fabricated as two-dimensional arrays of graphene nanoribbons (GNRs) represent one of the key recent breakthroughs in the field. NPGs interestingly display in-plane transport anisotropy of charge carriers, and such anisotropy was shown to be tunable by modulating quantum interference. Herein, using large-scale quantum transport simulations, we show that electrical anisotropy in NPGs is not only resilient to disorder but can further be massively enhanced by its presence. This outcome paves the way to systematic engineering of quantum transport in NPGs as a novel concept for efficient quantum devices and architectures.

cond-mat.mes-hall↗

arXiv2022

Electrical Control of Spin-polarized Topological Currents in Monolayer WTe$_2$

We evidence the possibility for coherent electrical manipulation of the spin orientation of topologically protected edge states in a low-symmetry quantum spin Hall insulator. By using a combination of ab-initio simulations, symmetry-based modeling, and large-scale calculations of the spin Hall conductivity, it is shown that small electric fields can efficiently vary the spin textures of edge currents in monolayer 1T'-WTe2 by up to a 90-degree spin rotation, without jeopardizing their topological character. These findings suggest a new kind of gate-controllable spin-based device, topologically protected against disorder and of relevance for the development of topological spintronics.

cond-mat.mes-hall↗

arXiv2022

Generation and control of non-local chiral currents in graphene superlattices by orbital Hall effect

Graphene-based superlattices offer a new materials playground to exploit and control a higher number of electronic degrees of freedom, such as charge, spin, or valley for disruptive technologies. Recently, orbital effects, emerging in multivalley band structure lacking inversion symmetry, have been discussed as possible mechanisms for developing orbitronics. Here, we report non-local transport measurements in small gap hBN/graphene/hBN moiré superlattices which reveal very strong magnetic field-induced chiral response which is stable up to room temperature. The measured sign dependence of the non-local signal with respect to the magnetic field orientation clearly indicates the manifestation of emerging orbital magnetic moments. The interpretation of experimental data is well supported by numerical simulations, and the reported phenomenon stands as a formidable way of in-situ manipulation of the transverse flow of orbital information, that could enable the design of orbitronic devices.

cond-mat.mes-hall↗