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Kostya S. Novoselov

Publications and source records attributed to Kostya S. Novoselov.

At least 19 recordsLinked to original sources
arXiv2026

Tunneling characteristics of twisted double bilayer graphene heterostructures

Electron tunneling between sheets of bilayer Bernal graphene twisted at different small angles was studied experimentally and theoretically. The current-voltage characteristics exhibit resonant peaks, steps, and regions of negative differential resistance, the origin of which is explained by the intersections of energy- and momentum-shifted electron dispersions of adjacent layers. A theoretical analysis of tunneling transport demonstrated that the key to understanding this phenomenon lies in the competition between two contributions: between like (conductivity-conductivity or valence-valence) and unlike (conductivity-valence) bands of parallel bilayer graphene sheets. A systematic evolution of the tunneling current patterns with increase of the twist angle is investigated. Polarization of electron wave function across graphene sublayers caused by displacement field within bilayer graphene is shown to strongly affect the tunneling probability, thus enhancing negative differential resistance due to Van Hove singularities at the band edges.

cond-mat.mes-hall↗
arXiv2026

Hyperbolic-enhanced Raman scattering in van der Waals MoOCl2: from Fano resonances to picomolar detection

Natural van der Waals (vdW) crystals with hyperbolic dispersion challenge artificial metamaterials but remain confined to the mid-infrared. The emergence of MoOCl2, a quasi-one-dimensional metal with in-plane hyperbolicity, overcomes this spectral limit, shifting the focus to the practical visible range. Here, using angle-resolved polarized Raman spectroscopy, we uncover pronounced polarization-dependent Fano lineshapes that reveal coupling between phonons and the anisotropic metallic continuum, together with strong wavelength-dependent reshaping of the Raman polarization patterns governed by the anisotropic optical response of MoOCl2. Harnessing this optical anisotropy, we demonstrate "Hyperbolic-Enhanced Raman" (HypER) scattering, where MoOCl2 provides polarization-tunable analytical enhancement factors exceeding 10^7 and picomolar-level detection of Rhodamine 6G down to 100 pM, without deliberate surface nanostructuring. These results establish air-stable MoOCl2 as a simple, wafer-compatible platform for visible-range hyperbolic nanophotonics and lithography-free sensing.

physics.optics↗
arXiv2026

Manipulation of localized excitons in CrPS$_4$ by temperature and magnetic field

Layered van der Waals magnetic semiconductors provide a versatile platform for exploring excitonic phenomena intertwined with spin and lattice degrees of freedom, enabling excitons to act as sensitive probes of magnetic order. CrPS$_4$ is a layered antiferromagnetic semiconductor that hosts rich excitonic features whose microscopic origin and connection to magnetic ordering remain incompletely understood. Here, we investigate the electronic and excitonic properties of bulk CrPS$_4$ using a combination of many-body perturbation theory, dynamical mean-field theory, and photoluminescence-based experiments. Our calculations establish CrPS$_4$ as a direct-gap semiconductor with a bandgap of 2.48~eV in the antiferromagnetic phase. Several sub-bandgap excitonic transitions are predicted by theory, comprising multiple spin-allowed excitons and an additional spin-flip excitation, predominantly localized on the Cr$^{3+}$ ions. Temperature- and magnetic-field-dependent optical measurements reveal thermally driven exciton redistribution among localized states and identify characteristic energy shifts that provide clear optical signatures of magnetic phase transitions in CrPS$_4$. These results provide new insights into the excitonic transitions of antiferromagnets and suggest potential routes for all-optical sensing and light-driven control of their magnetic order.

cond-mat.str-el↗
arXiv2026

Towards on-chip nascent all-van-der-Waals polarization optical components for nanoscale photonic applications

The integration of polarization-control elements into nanoscale photonic circuits remains a central challenge for modern on-chip optical technologies, which call for continuous miniaturization. Van der Waals (vdW) crystals provide a versatile platform for the creation of such components owing to their strong optical anisotropy, high-refractive indices and atomically precise heterostructure assembly capabilities. In this work, we demonstrate an approach towards the creation of all-vdW on-chip polarization optical components, exemplified with quarter-wave plates operating in the near-infrared (NIR) spectral region, realized in specifically twisted ReSe2/alpha-MoO3 vdW heterostructures on a Si/SiO2 platform. Here, low-symmetry ReSe2 layer serves as a source of exceptionally high linearly polarized excitonic emission, whereas in-plane birefringent alpha-MoO_3 provides polarization-state conversion. Furthermore, our finite-difference time-domain (FDTD) simulations quantitatively reproduce the experimental observations with high accuracy revealing the critical roles of layer thicknesses, twist-angle, Fabry-Perot interference and emitter distribution effects in the determination of polarization conversion efficiency, which yields up to 95 % degrees of circular polarization (DoCP) for the optimized parametrization. Our findings establish a practical route towards fully integrated all-vdW polarization optical components, providing a foundation for nanoscale photonic architectures based entirely on layered materials.

physics.optics↗
arXiv2026

Observation of single antiferromagnetic magnon modes through tunnelling spectroscopy of spin-1/2 Kitaev system a-RuCl3

The small-gap room-temperature semiconductor a-RuCl3, which is known to undergo a Mott-Hubbard transition at low temperatures, is one of the most promising candidates for realisation of an exotic matter form, the quantum spin liquid state, which may have applications in quantum computing. Although extensively investigated by neutron scattering techniques, electronic study of this system in the form of van der Waals heterostructures has been limited mainly to graphene proximity. Here we report a systematic study of planar and tunnelling electronic properties of a-RuCl3 films, where we observe an n-type field effect on a-RuCl3 films at room temperature, with a Mott insulator nature onset below 120 K. For films of three-layer thickness and below we find inelastic scattering features, below the Néel temperature of 7-14.5 K, which we attribute to single magnon modes. Our study confirms preserved low-temperature signatures of the zigzag antiferromagnetic order in the atomically thin limit and its single magnon modes within the continuum through tunnelling spectroscopy.

cond-mat.mes-hall↗
arXiv2026

Probing the temperature dependence of dielectric function of ternary transition metal dichalcogenides: towards thermo-driven ultrathin photonic components

Transition metal dichalcogenides (TMDs), along with their ternary derivatives, have attracted considerable attention mostly due to pronounced excitonic resonances emerging in visible (Vis) and near-infrared (NIR) spectral regions, enabling strong light-matter interaction. Nevertheless, a comprehensive insight of the temperature-dependent optical dispersions for the most of representatives of the family remains yet unrevealed. Here, we report on systematic studies of dielectric permittivity functions of uniaxial ternary MoSSe and WSSe across 430-1000 nm spectral region over a broad temperature window of 80-670 K. We show that the temperature evolution of their dielectric responses is governed by Varshni's formalism in Vis spectral region further affecting their high refractive index properties at the lossless NIR spectral tails. Furthermore, we exploit the measured optical dispersion of ternary WSSe designing ultrathin plano-convex NIR photonic lenses that demonstrate continuous modulation of performance with temperature variation. Our work provides critical insights for the creation of next-generation thermo-driven nanophotonic and optoelectronic devices.

physics.optics↗
arXiv2026

Emergent Fermi polarons in Dirac materials

We investigate band-structure effects on the absorption spectra of quantum impurities in Dirac materials. We uncover the formation of novel quasiparticles -- Dirac-Fermi polarons -- emerging from the dressing of impurities by excitations near the Dirac point. These quasiparticles are remarkably robust, persisting for both attractive and repulsive interactions, and across the full range of electron and hole doping. We show that their spectroscopic signature is a generic feature of Dirac materials, accessible with established techniques in both solid-state and ultracold atomic platforms. Our results establish polaron spectroscopy as a powerful probe of Dirac points at energies far from the Fermi surface, providing direct access to band-structure effects beyond conventional approaches.

cond-mat.mtrl-sci↗
arXiv2026

Untangling 3D atomic reconstruction in twisted bilayer 2D crystals via dark field transmission electron microscopy

Reconstruction of the atomic crystal structure in twisted 2D materials has been demonstrated to be responsible for multiple exciting phenomena in van der Waals heterostructures, from the appearance of flat bands in twisted bilayer graphene to Wigner crystallization in transition metal dichalcogenides (TMDs). However, there are still no experimental methods for accessing the 3D atomic distributions nor models that describe the exact atomic shifts in such reconstructed structures, which significantly impedes the development of the field. Dark field (DF) transmission electron microscopy (TEM) has been conventionally employed to visualize the local in-plane atomic displacements. Here we expand this method to obtain a full description of the reconstructed atomic systems and demonstrate the quantitative relations between the local stacking and the intensity in the DF image. We show how local 3D atomic displacements and the interlayer distance can be extracted from a DF image.

cond-mat.mes-hall↗
arXiv2026

Crys-JEPA: Accelerating Crystal Discovery via Embedding Screening and Generative Refinement

De novo crystal generation seeks to discover materials that are not merely realistic, but also stable and novel. However, most existing generative models are trained to maximize the likelihood of observed crystals, which encourages samples to stay close to known materials yet not necessarily align with the criteria that matter in discovery. Our empirical analysis shows that current crystal generative models exhibit a clear conflict between stability and novelty: samples near the observed distribution tend to retain stability but offer limited novelty, whereas samples farther from it often lose stability rapidly. This suggests that the useful region for discovering crystals that are both stable and novel is extremely narrow. To move beyond this limitation, we introduce Crys-JEPA, a joint embedding predictive architecture for crystals that learns an energy-aware latent space preserving formation-energy differences. In this space, stability assessment can be reformulated as an embedding-based comparison against accessible training crystals, reducing the reliance on expensive energy evaluation and task-specific external references. Building on Crys-JEPA, we further develop a screening-and-refinement pipeline that identifies promising generated crystals and reintroduces them to refine the generative model. On MP-20 and Alex-MP-20 datasets, we achieve improvements over baselines up to 53.8% and 72.7% on V.S.U.N. metric, respectively.

cs.LG↗
arXiv2026

Composable Crystals: Controllable Materials Discovery via Concept Learning

De novo crystal generation, a central task in materials discovery, aims to generate crystals that are simultaneously valid, stable, unique, and novel. Existing methods mainly rely on black-box stochastic sampling, providing limited control over how generated structures move beyond the observed distribution. In this paper, we introduce a concept-based compositional framework for crystal generation. We train a vector-quantized variational autoencoder to automatically discover a shared set of reusable crystal concepts, which serve as building blocks for guided generation. These learned concepts naturally exhibit interpretability from both local atomic environments and global symmetry patterns, and generalize to crystals from different distributions. By recombining such concepts, our framework enables controllable exploration of novel crystals beyond the training distribution, rather than relying solely on unconstrained random sampling. To further improve composition efficiency, we introduce a composition generator and iteratively refine it using high-quality samples generated by the model itself. The resulting concept compositions are then used to condition downstream crystal generation. Numerical experiments on MP-20 and Alex-MP-20 show that compositing concepts separately increase base model up to 53.2% and 51.7% on V.S.U.N metric, with particular gains in novelty.

cs.LG↗
arXiv2026

Near-unity efficiency optical vortex generation in van der Waals materials

Optical spin-orbit coupling provides a promising, fabrication-free route for developing ultra-compact optical vortex generators. However, the conversion efficiency has been theoretically limited to 0.5. Here, we demonstrate enhanced vortex generation efficiency by employing a Bessel beam as the input and propagating it through van der Waals (vdW) crystals. The large birefringence of vdW crystals and the single transverse wave vector of a Bessel beam allow a near unity spin-orbit conversion efficiency and a topological charge transition of $\ell \rightarrow \ell + 2$. Through combined analytical and experimental investigations, we demonstrate a conversion efficiency of up to 0.82 in hexagonal boron nitride (hBN) crystals with a thickness of $27.4\,μ\mathrm{m}$. The higher efficiency of Bessel input beams over Gaussian beams is attributed to their distinct transverse wave vector distribution of constituent plane wave components. Furthermore, we demonstrate the dependence of conversion efficiency on the numerical aperture (NA) of the objective lens, which is in good alignment with theoretical predictions. These demonstrations provide a fabrication-free route to highly efficient optical vortex generation via microscale vdW materials platforms.

physics.optics↗
arXiv2026

Broadband dielectric permittivity tensor of muscovite for next-generation all van der Waals photonic components

We report a comprehensive determination of the broadband dielectric permittivity tensor of van der Waals (vdW) muscovite also referred to as mica, establishing it as a low-index low-loss platform for ultrathin nanophotonics. Resolving its anisotropic vibrational response and extracting accurate tensor components across broadband ultraviolet (UV) to near-infrared (NIR) spectral region, we show that vdW muscovite exhibits consistently low refractive indices negligible extinction and weak in-plane anisotropy allowing its effective treatment as a uniaxial dielectric in thin-film limits. Leveraging these properties, we design muscovite based vdW heterostructures pairing it MoS2, engineering few-layer distributed Bragg reflectors (DBR) and dichroic beam splitters (DBS) with high efficiency robust optical performance in a broad NIR spectral region achieved with sub-micron thicknesses. Our findings spotlight the high significance of low-index extinctionless vdW crystals, positioning muscovite as a highly perspective atomically flat building block for next-generation, broadband, all-vdW nanophotonic components.

physics.optics↗
arXiv2026

Continuous correlated states and dual-flatness in a moiré heterostructure

Many-body effects in condensed matter yield novel quantum states when the electronic density of states is enhanced. A vivid example is flat bands, which suppress kinetic energy and let interactions dominate, when they are filled with an integer number of electrons in moire systems. Yet flat bands and commensurate fillings are not the only conditions for correlated phenomena. Situations may occur where the band structure develops locally enhanced density of states, leading to strong correlations even at non-integer fillings, although such cases often yield pseudogaps that make detection elusive. Here we demonstrate that small-angle twisted monolayer-bilayer graphene combines moire-induced global flat band and additional local band flattening. Their coexistence allows direct comparison of correlated effects. The global route stabilizes commensurate states, while the local mechanism produces nearly flat bands, lifting degeneracy and generating symmetry breaking at non-integer fillings, yet without opening a global gap. Because there is no global gapped signature, the system remains metallic, but the effect reveals itself in anomalous Hall responses, signaling time-reversal symmetry breaking and valley polarization. Our results demonstrate dual-flatness as a guiding principle, extending moire physics beyond commensurate fillings and identifying topological transport as a probe of gapless correlated metals.

cond-mat.str-el↗
arXiv2026

Polymer-free van der Waals assembly of 2D material heterostructures using muscovite crystals

The advent of van der Waals (vdW) heterostructures has enabled formation of bespoke materials with atomic precision, where numerous quantum and topological phenomena have already been discovered. This atomic-layer tunability, however, comes at a cost: individual 2D layers must be picked up, moved, and placed in a deterministic manner while keeping their interfaces atomically clean. Recent advances in machine learning and robotics place even stronger emphasis on the deterministic aspect of vdW assembly. Current polymer-based transfer methods satisfy neither the determinism nor cleanliness requirements. To this end, solutions are needed where adhesion can be dynamically and deterministically controlled without leaving organic contamination. Here, we present a polymer free transfer technique employing thin muscovite (mica) crystals. Temperature control over mica adhesion enables deterministic pick-up, stacking, and release of 2D materials, while their crystalline, inorganic nature ensures pristine interfaces and suppresses strain. Fully compatible with existing fabrication workflows, this approach enables the assembly of demanding vdW heterostructures, including those with exposed conductive layers, moiré superlattices and suspended membranes. Our method represents a promising strategy for vdW heterostructure fabrication toward its automatization.

cond-mat.mes-hall↗
arXiv2026

Deep-Subwavelength and Broadband Quarter-Wave Retardation in Ultrathin Hyperbolic MoOCl2

The miniaturization of polarization-controlling optical components is one of the central pursuits in nanophotonics. While traditional anisotropic materials require large propagation lengths to achieve the desired phase shifts, metasurfaces mitigate this size constraint but often introduce narrow operational bandwidths and high fabrication complexities. To bridge this gap, we introduce MoOCl2 as a promising material for ultracompact and broadband phase retardation. Building on its giant optical anisotropy, we experimentally demonstrate MoOCl2 quarter-wave plates with thicknesses of 77 nm and 98 nm. These flakes exhibit achromatic quarter-wave retardation across broad visible (445 - 525 nm) and near-infrared (730 - 945 nm) spectral windows, surpassing the fundamental thickness and bandwidth limitations of both conventional optical materials and artificial nanostructures. Moreover, MoOCl2 waveplates demonstrate up to lambda/4500 retardance tolerance at central wavelengths. As a result, this study establishes MoOCl2 as a building block for ultracompact polarization optics.

physics.optics↗
arXiv2026

Scalable learning of macroscopic stochastic dynamics

Macroscopic dynamical descriptions of complex physical systems are crucial for understanding and controlling material behavior. With the growing availability of data and compute, machine learning has become a promising alternative to first-principles methods to build accurate macroscopic models from microscopic trajectory simulations. However, for spatially extended systems, direct simulations of sufficiently large microscopic systems that inform macroscopic behavior is prohibitive. In this work, we propose a framework that learns the macroscopic dynamics of large stochastic microscopic systems using only small-system simulations. Our framework employs a partial evolution scheme to generate training data pairs by evolving large-system snapshots within local patches. We subsequently identify the closure variables associated with the macroscopic observables and learn the macroscopic dynamics using a custom loss. Furthermore, we introduce a hierarchical upsampling scheme that enables efficient generation of large-system snapshots from small-system trajectory distributions. We empirically demonstrate the accuracy and robustness of our framework through a variety of stochastic spatially extended systems, including those described by stochastic partial differential equations, idealised lattice spin systems, and a more realistic NbMoTa alloy system.

physics.comp-ph↗
arXiv2026

Surface defects in carbon-doped hexagonal boron nitride for negative-contrast direct laser writing

Radiative defects in hexagonal boron nitride (hBN) are active in a broad spectral range from deep ultraviolet to near-infrared wavelengths. Representatives of these defects act as bright single photon sources, spin-1 systems, and multiproperty atomic-scale sensors. They are predominantly investigated in bulk hBN films, where defects are decoupled from surface and interfacial effects. Here, we demonstrate a novel class of surface defects optically active in the green/yellow visible spectral range, which exhibit photophysical properties distinct from their bulk counterparts. High-power resonant laser illumination quenched the emission from the ensemble of such defects, which was attributed to a light-driven structural reconfiguration. The quenched defects were found to recover their emissive capabilities via a thermal cycling process, revealing an activation energy of 24.5 meV for the structural transition. Alternatively, permanent quenching of the defects was triggered by surface chemistry, involving lithiation-enabled attachment of functional groups. These mechanisms were utilized to realize negative-contrast direct laser writing, designing arbitrary geometric emissive patterns on demand in a microscopic configuration. The surface-active radiative centers in hBN appear particularly attractive for exploring environmental sensitivity, surface science, and coupling to photonic structures or electronic devices by taking unique advantage of the two-dimensional characteristics of the host lattice.

physics.optics↗
arXiv2026

Quantum Hall Effect at 0.002T

Graphene enables precise carrier-density control via gating, making it an ideal platform for studying electronic interactions. However, sample inhomogeneities often limit access to the low-density regimes where these interactions dominate. Enhancing carrier mobility is therefore crucial for exploring fundamental properties and developing device applications. Here, we demonstrate a significant reduction in external inhomogeneity using a double-layer graphene architecture separated by an ultra-thin hexagonal boron nitride layer. Mutual screening between the layers reduces scattering from random Coulomb potentials, resulting in a quantum mobility exceeding. Shubnikov de-Haas oscillations emerge at magnetic fields below 1 mT, while integer quantum Hall features are observed at 0.002T. Furthermore, we identify a fractional quantum Hall plateau at a filling factor of at 2T. These results demonstrate the platform's suitability for investigating strongly correlated electronic phases in graphene-based heterostructures.

cond-mat.mes-hall↗