arXiv subjects

Oleg V. Yazyev

Publications and source records attributed to Oleg V. Yazyev.

At least 19 recordsLinked to original sources

arXiv2026

Breakdown of Charge-Conjugation Symmetry of Disclinations in 2D Crystals

Disclinations are elementary topological defects in two-dimensional (2D) crystalline membranes, yet their elastic properties remain largely unexplored. Using atomistic simulations, we address the energetics, morphology, and interactions of disclinations in free-standing graphene, a prototypical 2D crystal. We find that while disclinations with positive topological charges follow an expected behavior, negative disclinations exhibit sublinear energy scaling with charge as well as equilibrium shape that deviates sharply from the conventional saddle ansatz. This breakdown of charge-conjugation symmetry leads to qualitatively distinct interactions: positive disclinations repel, whereas negative disclinations display a robust long-range attraction. These trends are shown to be further amplified by self-adhesion in folded membranes. Our results uncover a fundamentally different energetic landscape for negative curvature defects and provide a basis for understanding the stability, self-folding behavior, and defect-driven morphology of graphene and other 2D membranes.

cond-mat.mes-hall↗

arXiv2026

Displacement-field-driven reconstruction of low energy transport in few-layer PtSe2

In layered semiconductors, a perpendicular displacement field generates an interlayer potential difference that competes with interlayer hybridization, modifying both the band gap and the finite-density electronic states that carry current. Resolving this interplay requires a material lying close to the semiconductor-to-semimetal transition, where moderate electric fields can strongly reshape the low-energy electronic structure. Here, we investigate displacement-field-driven transport in dual-gated semiconducting PtSe2, whose pronounced thickness-dependent electronic structure provides access to this low-band-gap regime. Unlike thinner layers, the displacement-field response is strong in six-layer PtSe2, which lies at the verge of the semiconductor-to-semimetal crossover with only a small residual transport gap. Even weak displacement fields rapidly suppress this residual gap near charge neutrality, driving the system toward a band-overlap regime. At the same time, the conductivity decreases in the heavily hole-doped regime, demonstrating that the displacement field modifies not only the gap but also the conducting valence-band states. Fixed-relaxation-time Wannier transport calculations reproduce both responses, showing that they originate from field-induced band overlap together with reconstruction of the valence-band dispersion. These results establish finite-density transport as a sensitive probe of displacement-field-driven electronic structure reconstruction and extend electrical control beyond conventional band-gap engineering.

cond-mat.mtrl-sci↗

arXiv2026

First-Principles Wannier Representation of Proximity Effects

Proximity effects in layered heterostructures are usually represented by static parameters fitted to first-principles bands, which discards the energy dependence of the virtual hybridization, the momentum transfer, and the spatial structure. We overcome this limitation by deriving a dynamical proximity operator $\mathcal{V}(\mathbf{k},\mathbf{k}';ω)$ directly from density functional theory, downfolding the Kohn-Sham Hamiltonian of the heterostructure onto a fixed low-energy target Wannier subspace and reproducing its spectrum exactly within that subspace. The construction separates direct matrix elements from virtual hybridization through all remaining states. In graphene on hBN/Co(0001), virtual hybridization generates more than $99\%$ of the proximity exchange and gives it a resonant frequency dependence set by the Co $d$ states. In graphene/PtSe$_2$ it resolves a sublattice-selective intervalley coupling with a $\sqrt{3}\times\sqrt{3}$ charge modulation, and in graphene/WSe$_2$ a bond-resolved Rashba coupling of $0.24$~meV, against below $1$~$μ$eV for the direct projection alone. Our results expose the limitations of static projections and establish a fitting-free microscopic foundation for low-energy modeling, spin-relaxation theory, and transport calculations.

cond-mat.mes-hall↗

arXiv2026

Electronic properties and topological aspects of graphene nanohelicoids

We introduce graphene nanohelicoids, geometric analogues of graphene nanoribbons, in which the honeycomb lattice is embedded on a helicoidal surface. Starting from the three-dimensional helical structure, we construct effective one-dimensional lattice models with band structures characterized by a momentum-shifted particle-hole relation $E_v(k)=-E_c(k+π)$ that reflects an anti-chiral symmetry arising from the nonsymmorphic symmetry. A systematic investigation of graphene nanohelicoids using the tight-binding approximation reveals a number of trends upon varying width and edge orientation, for instance, alternating transitions between semiconducting and metallic regimes. As the structure width varies, the band gap periodically closes and reopens, accompanied by an alternating Zak phase that switches between trivial and nontrivial. We derive an analytic tight-binding model and introduce a continuous deformation of the graphene nanohelicoids that explains the origin of width-dependent band inversion and alternating Zak phase.

cond-mat.mes-hall↗

arXiv2026

Charge carrier flow through trimmed graphene nanoribbon junctions

As Moore's law approaches its fundamental limits, the development of nanoelectronic devices using low-dimension materials has become a promising avenue for further miniaturization and performance improvements. Among the various novel materials, graphene nanoribbons (GNRs) have emerged as particularly attractive candidates due to their unique electronic properties, opening up a whole new nanoelectronics paradigm consisting of circuits made entirely of graphene. However, due to the technical constraints that naturally arise when working on a two-dimensional plane, the design of efficient nanoelectronic components with a minimal spatial footprint remains a significant challenge. In particular, connecting various components can be a real architectural challenge, comparable to that of the first printed circuit boards. This paper investigates strategies for designing optimal-sized nanoribbon junctions which allow connecting GNRs at an angle, by trimming the junction edge while maintaining favorable electronic properties. Specifically, we show that the probability density current at the tip of junctions is negligible, implying that a selection of atoms can safely be removed without significantly altering the conductance. More generally, we demonstrate that larger trimmings have impacts on the conductance channels, resulting in a conductance that is mainly dictated by the ratio of armchair and zigzag edges. Finally, we propose a simple model relating this ratio to the conductance.

cond-mat.mes-hall↗

arXiv2026

Single-ion anisotropy-stabilized short-period helimagnetism in frustrated chiral Co$_5$TeO$_8$

Chiral spin textures in magnetic insulators promise magneto-electric (ME) spintronics with orders-of-magnitude lower power consumption than metallic systems. However, realizing the short magnetic periods required for high-density device integration remains difficult, as conventional Dzyaloshinskii-Moriya interaction (DMI)-based mechanisms typically constrain spiral periods to tens of nanometers. While theory predicts that strong single-ion anisotropy (SIA) on frustrated lattices can stabilize complex non-coplanar textures, the potential for using this mechanism to engineer such compact textures remains largely unexplored. Here we report that a cubic chiral insulator Co$_5$TeO$_8$ provides an experimental example of this paradigm. Comprehensive neutron scattering and magnetometry reveal helimagnetic spirals with continuously tunable pitch of 5.7-10 nm embedded in a complex phase diagram spanning eight distinct phases. Capacitance anomalies throughout the phase diagram indicate magneto-electric coupling, pointing to the possibility of future $E$-field control of these textures. The temperature- and field-dependence of the helical wavevector strongly support a scenario in which site-dependent SIA provides the leading contribution to the selection of the helical period from a frustration-induced degenerate manifold. Consistent with this interpretation, $ab\,initio$ calculations place SIA approximately an order of magnitude above DMI, distinct from conventional helimagnets. Co$_5$TeO$_8$ thus offers an experimental realization of sub-10 nm helimagnetism and motivates a design principle for anisotropy-engineered correlated insulators.

cond-mat.str-el↗

arXiv2026

Quantum Criticality in Monolayer Amorphous Carbon

Amorphous solids represent the extreme limit of broken translational symmetry, in which the absence of long-range order removes well-defined crystal momenta and invalidates the Bloch description of electronic states. Monolayer amorphous carbon (MAC) has emerged as a unique realization of a strictly two-dimensional (2D) amorphous lattice defined by a structurally contiguous but topologically disordered $sp^2$-bonded random network devoid of any defined long-range crystal symmetry. From atomic-resolution measurements of multifractal wavefunctions, we show that disorder in MAC effectively localizes the low-energy part of the electronic spectrum but retains an extended critical-like state near the band centre ($E\sim 0$). We conjecture that this state is protected from topological disorder by remnant chiral symmetry surviving within the continuous random network, described by a Wess-Zumino-Witten (WZW) topological term. Near criticality, we verify the multifractal scaling relation $η= -Δ_2$, providing quantitative agreement between independently measured spatial correlation decay and multifractal scaling exponents. Our results are confirmed by atomistic tight-binding calculations that closely mirror the multifractal scaling near $E\sim 0$. Our results establish MAC as the first strictly 2D amorphous electronic system to exhibit Anderson criticality driven purely by topological disorder

cond-mat.dis-nn↗

arXiv2026

Coupling between CaWO$_4$ phonons and Er$^{3+}$ dopants

We investigate the lattice dynamics of CaWO$_4$, a promising host crystal for erbium-based quantum memories, using inelastic neutron scattering together with density-functional perturbation theory. The measured phonon dispersion along the (100), (001), and (101) reciprocal space direction reveals phonon bands extending up to 130 meV, with a gap between 60 and 80 meV, in good agreement with our calculations. From a symmetry analysis of the phonon eigenmodes, we identify eight Raman-active modes that can couple directly to the Er$^{3+}$ crystal-field operators, including a low-energy $B_g$ mode at 9.1 meV that is expected to play a dominant role in phonon-assisted spin-lattice relaxation. These results provide a microscopic description of the phonon bath in CaWO$_4$ and establish a basis for engineering phononic environments to mitigate the loss of stored quantum states and optimize Er-doped CaWO$_4$ for quantum-memory applications.

cond-mat.mtrl-sci↗

arXiv2026

Correlated phases in rhombohedral multilayer graphene

We investigate the emergence of correlated electron phases in rhombohedral $N$-layer graphene due to two-valley Coulomb interactions within a low-energy $k \cdot p$ framework. Analytical expressions for Lindhard susceptibilities in intra- and intervalley channels are derived, and the critical temperatures for phase transitions are estimated using both the random phase approximation (RPA) and the parquet approximation (PA). Within RPA, only Stoner and intervalley coherent (IVC) phases are supported, while the PA reveals a richer phase structure including particle-particle (PP) channel instabilities. We establish a general scaling law for the critical temperature with respect to layer number $N$, highlighting an upper bound as $N \rightarrow \infty$, and demonstrate a non-monotonic decrease of the critical temperature with increasing chemical potential. The PA uncovers the role of interaction symmetry: $SU(4)$-symmetric interactions favor intervalley Stoner order in the density channel, whereas $SU(2) \times SU(2)$-symmetric interactions permit a broader set of phases. A crossover in the dominant instability occurs in the particle-hole channel at a critical layer number, suggesting the emergence of magnetic or IVC phases in thicker systems. We also identify conditions under which pair-density wave (PDW) order could form in the PP channel, though its physical realization may be constrained.

cond-mat.str-el↗

arXiv2025

Electronic states at twist stacking faults in rhombohedral graphite

Flat bands in graphitic materials emerged as a platform for realizing tunable correlated physics. As a nodal-line semimetal, rhombohedral graphite features flat drumhead surface states in the vicinity of the Dirac points, which carry a nontrivial topological charge. We present a comprehensive study on rhombohedral graphite with twist stacking faults. Using both the continuum models and the realistic tight-binding models, we show that the twist angle between the graphene layers can tune the interface states at such stacking faults. The evolution of interface states originates from the interplay between the moiré periodicity and Zak phase topology, predicting the occurrence of nearly flat bands throughout the moiré Brillouin zone. We further investigate the disorder-induced layer polarization and tunable Chern number for flat band, and characterize the relationship between the disorder strength and Chern number in twisted rhombohedral graphite.

cond-mat.mes-hall↗

arXiv2025

Magnetoelectric Switching of Magnetic Order in Rhombohedral Graphene

A finite Hall conductance under zero magnetic field implies time reversal symmetry (TRS) breaking due to magnetic order. In rhombohedral stacked multilayer graphene, the angular momentum that breaks TRS can result from the orbital degree of freedom at the $K$ and $K'$ valleys. This leads to valley polarization and occupation-dependent anomalous Hall resistance (AHR) due to the chirality in Berry curvature at the valleys. We report magnetoelectric control of orbital magnetic order in crystalline rhombohedral hexalayer graphene (R6G), achieved without the introduction of a moiré superlattice. At moderate displacement fields and low carrier densities, we observe a non-volatile and hysteretic AHR that can be electrically toggled by sweeping either the carrier density or the displacement field. Upon the application of small perpendicular magnetic fields, the system reveals a characteristic double sign reversal of the AHR, indicating a competition between distinct magnetic ground states. This interplay between valley polarization and electric and magnetic field tuning demonstrates the rich multiferroic behavior of R6G. Our findings present crystalline R6G as a minimal, tunable platform for studying symmetry-breaking phases and magnetic order in flat-band systems, offering insights into the coupling between electronic structure and magnetoelectric response.

cond-mat.mes-hall↗

arXiv2025

A Predictive Theory of Electrochemical Ostwald Ripening for Electrodeposited Lithium Metal

Electrode morphology critically determines the stability and efficiency of lithium metal anodes, yet no predictive framework has explained how measurable parameters control deposition. Here we introduce the first theoretical model of electrochemical Ostwald ripening, capturing the competition between electroplating and surface-energy-driven redistribution and identifying it as the governing process behind morphology evolution in the non-dendritic regime. The framework explicitly incorporates SEI resistance, electrolyte conductivity, electrode wettability, and current density revealing the transition from 2D SEI-limited to 3D electrolyte-limited growth. The model yields analytical expressions for nucleus size, density and distribution that quantitatively reproduce independent experimental results and establishes a direct link between plating conditions, morphology, and Coulombic efficiency. By providing experimentally accessible relationships between key parameters and deposition outcomes, the framework enables predictive understanding of lithium plating and provides a broadly applicable basis for controlling electrodeposition morphology across diverse electrochemical systems.

cond-mat.mtrl-sci↗

arXiv2025

Magnetoresistance in ZrSi$X$ ($X=$ S, Se, Te) nodal-line semimetals

We present a comprehensive first-principles study of the magnetoresistance in ZrSi$X$ ($X=$ S, Se, Te) topological nodal-line semimetals. Our study demonstrates that all primary features of the experimentally measured magnetoresistance in these materials are captured by our calculations, including the unusual butterfly-shaped anisotropic magnetoresistance. This anisotropic magnetoresistance can be accurately reproduced using the semiclassical Boltzmann transport theory without introducing any information on the topological nature of bands or the concepts of topological phase transition. Considering the complex structure of the Fermi surface in these topological materials, we develop a theoretical description explaining the features observed in magnetoresistance measurements. Additionally, the atypical Hall resistance can be interpreted by the same semiclassical approach. Our findings establish magnetotransport as a powerful tool for analyzing the geometry of the Fermi surface, complementing angle-resolved photoemission spectroscopy and quantum oscillation measurements. This approach is demonstrated to be particularly useful for determining the role of non-trivial topology in transport properties.

cond-mat.mtrl-sci↗

arXiv2024

Dynamic Jahn-Teller effect in the strong spin-orbit coupling regime

Exotic quantum phases, arising from a complex interplay of charge, spin, lattice and orbital degrees of freedom, are of immense interest to a wide research community. A well-known example of such an entangled behavior is the Jahn-Teller effect, where the lifting of orbital degeneracy proceeds through lattice distortions, often accompanied by ordering of spins and metal-insulator transitions. Static distortions, including cooperative behavior, have been associated with colossal magneto-resistance, multiferroicity, high-$T_\mathrm{C}$ superconductivity and other correlated phenomena. Realizations of the dynamic Jahn-Teller effect, on the other hand, are scarce since the preservation of vibronic symmetries requires subtle tuning of the local environment. Here we demonstrate that a highly-symmetrical 5d$^1$ double perovskite Ba$_2$MgReO$_6$, comprising of a 3D array of isolated ReO$_6$ octahedra, fulfils these requirements, resulting in a unique case of a dynamic Jahn-Teller system with strong spin-orbit coupling. Thermodynamic and resonant inelastic x-ray scattering experiments undoubtedly show that the Jahn-Teller instability leads to a ground-state doublet, invoking a paradigm shift for this family of compounds. The restoration of vibronic degrees of freedom arises from a quantum-mechanical zero-point motion, as revealed by detailed quantum chemistry calculations. The dynamic state of ReO$_6$ octahedra persists down to the lowest temperatures, where a multipolar order sets in, allowing for investigations of the interplay between a dynamic JT effect and strongly correlated electron behavior.

cond-mat.str-el↗

arXiv2024

Strongly correlated Hofstadter subbands in minimally twisted bilayer graphene

Moiré superlattice in twisted bilayer graphene has been proven to be a versatile platform for exploring exotic quantum phases. Extensive investigations have been invoked focusing on the zero-magnetic-field phase diagram at the magic twist angle around $θ=1.1\degree$, which has been indicated to be an exclusive regime for exhibiting flat band with the interplay of strong electronic correlation and untrivial topology in the experiment so far. In contrast, electronic bands in non-magic-angle twisted bilayer graphene host dominant electronic kinetic energy compared to Coulomb interaction. By quenching the kinetic energy and enhancing Coulomb exchange interactions by means of an applied perpendicular magnetic field, here we unveil gapped flat Hofstadter subbands at large magnetic flux that yield correlated insulating states in minimally twisted bilayer graphene at $θ=0.41\degree$. These states appear with isospin symmetry breaking due to strong Coulomb interactions. Our work provides a platform for studying the phase transition of the strongly correlated Hofstadter spectrum.

cond-mat.mes-hall↗

arXiv2024

Renormalization group of topological scattering networks

Exploring and understanding topological phases in systems with strong distributed disorder requires developing fundamentally new approaches to replace traditional tools such as topological band theory. Here, we present a general real-space renormalization group (RG) approach for scattering models, which is capable of dealing with strong distributed disorder without relying on the renormalization of Hamiltonians or wave functions. Such scheme, based on a block-scattering transformation combined with a replica strategy, is applied for a comprehensive study of strongly disordered unitary scattering networks with localized bulk states, uncovering a connection between topological physics and critical behavior. Our RG scheme leads to topological flow diagrams that unveil how the microscopic competition between reflection and non-reciprocity leads to the large-scale emergence of macroscopic scattering attractors, corresponding to trivial and topological insulators. Our findings are confirmed by a scaling analysis of the localization length (LL) and critical exponents, and experimentally validated. The results not only shed light on the fundamental understanding of topological phase transitions and scaling properties in strongly disordered regimes, but also pave the way for practical applications in modern topological condensed-matter and photonics, where disorder may be seen as a useful design degree of freedom, and no longer as a hindrance.

cond-mat.dis-nn↗

arXiv2024

Design Rules for Interconnects Based on Graphene Nanoribbon Junctions

Graphene nanoribbons (GNRs) produced by means of bottom-up chemical self-assembly are considered promising candidates for the next-generation nanoelectronic devices. We address the electronic transport properties of angled two-terminal GNR junctions, which are inevitable in the interconnects in graphene-based integrated circuits. We construct a library of over 400000 distinct configurations of 60$^\circ$ and 120$^\circ$ junctions connecting armchair GNRs of different widths. Numerical calculations combining the tight-binding approximation and the Green's function formalism allow identifying numerous junctions with conductance close to the limit defined by the GNR leads. Further analysis reveals underlying structure-property relationships with crucial roles played by the bipartite symmetry of graphene lattice and the presence of resonant states localized at the junction. In particular, we discover and explain the phenomenon of binary conductance in 120$^\circ$ junctions connecting metallic GNR leads that guarantees maximum possible conductance. Overall, our study defines the guidelines for engineering GNR junctions with desired electrical properties.

cond-mat.mes-hall↗

arXiv2023

Cluster-based pruning techniques for audio data

Deep learning models have become widely adopted in various domains, but their performance heavily relies on a vast amount of data. Datasets often contain a large number of irrelevant or redundant samples, which can lead to computational inefficiencies during the training. In this work, we introduce, for the first time in the context of the audio domain, the k-means clustering as a method for efficient data pruning. K-means clustering provides a way to group similar samples together, allowing the reduction of the size of the dataset while preserving its representative characteristics. As an example, we perform clustering analysis on the keyword spotting (KWS) dataset. We discuss how k-means clustering can significantly reduce the size of audio datasets while maintaining the classification performance across neural networks (NNs) with different architectures. We further comment on the role of scaling analysis in identifying the optimal pruning strategies for a large number of samples. Our studies serve as a proof-of-principle, demonstrating the potential of data selection with distance-based clustering algorithms for the audio domain and highlighting promising research avenues.

eess.AS↗