arXiv subjects

Valentine V. Volobuev

Publications and source records attributed to Valentine V. Volobuev.

9 recordsLinked to original sources

arXiv2026

Multivalley 3D Electronic Structure of PbSe from Soft-X-Ray ARPES and First-Principles Calculations

PbSe is a narrow-gap IV-VI semiconductor, whose multivalley valence bands, with maxima at the L, $Σ$, and $Δ$ points, underpin its intermediate-temperature thermoelectric properties. We combine soft-X-ray angle-resolved photoemission spectroscopy (SX-ARPES) with first principles simulations to study the valence band structure of bulk PbSe. High resolution measurements are conducted at photon energies of 400-900 eV to map the valence manifold along X$Γ$X, WXW, and K$Γ$K, and iso-energy surfaces are collected in the $k_z=0$ plane. Comparison to ARPES enables a rigorous assessment of the performance of density functional theory (DFT), using semi-local and hybrid functionals, as well as many-body perturbation theory within the quasiparticle self-consistent $GW$ approximation. We find that the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional and QP$GW$ reproduce the measured band dispersions to within 0.1-0.2 eV over the entire valence band. In contrast, the semi-local Perdew-Burke-Ernzerhof (PBE) functional compresses the band width and deviates from experiment by up to 0.6 eV. We further show that an accurate band structure and band gap are vital to obtaining a correct description of the dependence of the Seebeck coefficient of p-type PbSe on the hole concentration (Pisarenko relation). This has implications for computational efforts to discover thermoelectric materials.

cond-mat.mtrl-sci↗

arXiv2026

Tuning Dirac-Rashba and Double Dirac Cone Surface States of Topological Crystalline Insulator Pb$_{1-x}$Sn$_{x}$Se by Transition Metal Adsorbate

The electronic structure of topological insulator/magnetic metal (TI/MM) interfaces is of great importance for understanding of exotic spin-dependent phenomena and realization of advanced spin-orbitronic devices. Here, we employ a model system of submonolayer transition metal (TM) deposited on the surface of a topological crystalline insulator (TCI) of Pb$_{1-x}$Sn$_{x}$Se to systematically map out the modification of the surface electronic structure by angle-resolved photoemission spectroscopy (ARPES) as a function of coverage. For the polar (111) Pb$_{1-x}$Sn$_{x}$Se surface, we observe the coexistence of the Dirac topological surface states (TSS) and Rashba-split surface states (RSS) induced by the combined effects of inversion-symmetry breaking, surface band bending and orbital angular momentum effects. In particular, we demonstrate very large Rashba splittings can be obtained and the Rashba parameter ($α_R$) can be tuned over a remarkably wide range from 0 to 3.5 eV ${\cdot}$ $\mathring{\mathrm{A}}$, depending on the type and coverage of the TM adatoms. Model-Hamiltonian calculations corroborate the experimental findings and reveal that this coexistence results from the filling of the TSS by the surface doping caused by the TM. In contrast, for the nonpolar (001) surface exhibiting a double Dirac cone topological surface state, the inversion symmetry is preserved and hence no Rashba-split surface states emerge. Instead, surface charge imbalance induces dephasing of the wave functions of the double Dirac cones that diminishes the momentum-space separation between them. These findings shed light on novel phenomena occurring at the topological insulator / transition metal interface, offering a versatile platform for future spintronic and quantum devices.

cond-mat.mtrl-sci↗

arXiv2026

Neural RHEED alignment with limited training data during CdTe MBE growth

We introduce a data-efficient neural-vision assisted method to automate crystallographic alignment during molecular beam epitaxy (MBE) growth. Trained on reflection high-energy electron diffraction (RHEED) patterns from only 15 CdTe structures, our model - enabled by physics-aware postprocessing - reliably infers crystallographic directions, replacing manual frame-by-frame inspection. To this end, we design, test, and critically compare neural-network architectures based on 2D and 3D ResNet configurations, both with and without postprocessing that leverages the physical constraints of RHEED image acquisition. Our work delivers (i) a fully trained neural system ready for closed-loop deployment in future CdTe growth experiments and (ii) a generalizable pipeline for new materials where access to diverse RHEED datasets is limited. More broadly, this study represents a step toward AI-driven MBE growth and demonstrates the potential of machine-learning-assisted automation in thin-film synthesis.

cond-mat.mtrl-sci↗

arXiv2026

Optical control of conductivity type and valley polarization via persistent photoconductivity in (Pb,Sn)Se quantum wells

The ability to tune the Fermi level of semiconductors is at the heart of modern electronics. Here, we demonstrate that persistent photoconductivity (PPC) enables tuning of carrier density, conductivity type, and, consequently, the valley polarization in (Pb,Sn)Se/(Pb,Eu)Se quantum wells. Illumination of these samples induces Fermi level shifts that convert the system from a threefold-degenerate $\bar{M}$-valley two-dimensional hole gas to a single $\barΓ$-valley-polarized electron gas with similar values of mobility. The optically induced state persists for more than $10^{3}$ minutes at cryogenic temperatures and enables stepwise optical gating without the need for device processing. These transitions are confirmed by the sign inversion of the Hall slope and the modification of quantum Hall plateau degeneracies measured in magnetic fields up to 35 T. Landau level $k\cdot p$ model calculations quantitatively reproduce the experimental data. Furthermore, studies of weak-field magnetoresistance demonstrate the significance of quantum localization phenomena at the transition between the weakly and strongly localized regimes in compensated narrow-gap semiconductors. Spectral studies allow us to identify the critical role of the barrier material and determine the photon energies that can reverse the PPC effect. The persistent light-induced upward shift of the Fermi level in the $p$-type quantum well is explained in terms of specific energy positions of donor and acceptor defect states in the studied system. Our results demonstrate that PPC is a powerful optical gating tool for the IV-VI quantum wells, a versatile platform for reconfigurable valleytronic architectures.

cond-mat.mes-hall↗

arXiv2025

Topological phase diagram and quantum magnetotransport effects in (Pb,Sn)Se quantum wells with magnetic barriers (Pb,Eu)Se

In this study, we report here on a successful growth by molecular beam epitaxy of high crystalline quality Pb$_{1-x}$Sn$_{x}$Se:Bi/Pb$_{1-y}$Eu$_{y}$Se QWs with $x = 0.25$ and $y = 0.1$, and on their magnetotransport characterization as a function of the QW thickness between 10 and 50 nm, temperatures down to 300 mK, perpendicular and tilted magnetic fields up to 36 T. The character of weak antilocalization magnetoresistance and universal conductance fluctuations points to a notably long phase coherence length. It is argued that a relatively large magnitude of the dielectric constant of IV-VI compounds suppresses the decoherence by electron-electron scattering. The observation of Shubnikov-de-Haas oscillations and the quantum Hall effect, together with multiband $k\cdot p$ modelling, have enabled us to assess valley degeneracies, the magnitude of strain, subbands effective masses, and the topological phase diagram as a function of the QW thickness. Our results demonstrate that further progress in controlling Sn content, carrier densities, and magnetism in Pb$_{1-x}$Sn$_{x}$Se/Pb$_{1-y}$Eu$_{y}$Se QWs will allow for the exploration of the topologically protected quantized edge transport even in the absence of an external magnetic field.

cond-mat.mes-hall↗

arXiv2024

3D Topological Semimetal Phases of Strained $α$-Sn on Insulating Substrate

$α$-Sn is an elemental topological material, whose topological phases can be tuned by strain and magnetic field. Such tunability offers a substantial potential for topological electronics. However, InSb substrates, commonly used to stabilize $α$-Sn allotrope, suffer from parallel conduction, restricting transport investigations and potential applications. Here, the successful MBE growth of high-quality $α$-Sn layers on insulating, hybrid CdTe/GaAs(001) substrates, with bulk electron mobility approaching 20000 cm$^2$V$^{-1}$s$^{-1}$ is reported. The electronic properties of the samples are systematically investigated by independent complementary techniques, enabling thorough characterization of the 3D Dirac (DSM) and Weyl (WSM) semimetal phases induced by the strains and magnetic field, respectively. Magneto-optical experiments, corroborated with band structure modeling, provide an exhaustive description of the bulk states in the DSM phase. The modeled electronic structure is directly observed in angle-resolved photoemission spectroscopy, which reveals linearly dispersing bands near the Fermi level. The first detailed study of negative longitudinal magnetoresistance relates this effect to the chiral anomaly and, consequently, to the presence of WSM. Observation of the $π$ Berry phase in Shubnikov-de Haas oscillations agrees with the topologically non-trivial nature of the investigated samples. Our findings establish $α$-Sn as an attractive topological material for exploring relativistic physics and future applications.

cond-mat.mtrl-sci↗

arXiv2022

Spin-polarization of topological crystalline and normal insulator Pb$_{1-x}$Sn$_x$Se (111) epilayers probed by photoelectron spectroscopy

The helical spin texture on the surface of topological crystalline insulators (TCI) makes these materials attractive for application in spintronics. In this work, spin-polarization and electronic structure of surface states of (111)-oriented Pb$_{1-x}$Sn$_x$Se TCI epitaxial films are examined by angle -- as well as spin-resolved photoemission spectroscopy (SR-ARPES). High-quality epilayers with various Sn content are grown by the molecular beam epitaxy (MBE) method. Topological-normal insulator transition manifesting itself as band gap opening is observed. It is shown that the gap opening can be induced not only by changing the Sn content of the epilayer but also depositing a transition metal (TM) on its surface. In the latter case, the observed gaping of the surface states is caused by change in surface composition and not by magnetism. We also show that helical spin polarization is present not only for samples of topological composition but also for trivial ones (with an open band gap). The observed spin polarization reaches a value of 30 % for the in-plane spin component and is almost absent for the out-of-plane one. We believe that our work will pave the way for the application of surface states not only of topological but also normal insulators based on lead-tin chalcogenides in spin-charge conversion devices.

cond-mat.mtrl-sci↗

arXiv2021

Signatures of dephasing by mirror-symmetry breaking in weak-antilocalization magnetoresistance across the topological transition in Pb$_{1-x}$Sn$_{x}$Se

Many conductors, including recently studied Dirac materials, show saturation of coherence length on decreasing temperature. This surprising phenomenon is assigned to external noise, residual magnetic impurities or two-level systems specific to non-crystalline solids. Here, by considering the SnTe-class of compounds as an example, we show theoretically that breaking of mirror symmetry deteriorates Berry's phase quantization, leading to additional dephasing in weak-antilocalization magnetoresistance (WAL-MR). Our experimental studies of WAL-MR corroborate these theoretical expectations in (111) Pb$_{1-x}$Sn$_x$Se thin film with Sn contents $x$ corresponding to both topological crystalline insulator and topologically trivial phases. In particular, we find the shortening of the phase coherence length in samples with intentionally broken mirror symmetry. Our results indicate that the classification of quantum transport phenomena into universality classes should encompass, in addition to time-reversal and spin-rotation invariances, spatial symmetries in specific systems.

cond-mat.mes-hall↗

arXiv2017

Magnetooptical determination of a topological index

When a Dirac fermion system acquires an energy-gap, it is said to have either trivial (positive energy-gap) or non-trivial (negative energy-gap) topology, depending on the parity ordering of its conduction and valence bands. The non-trivial regime is identified by the presence of topological surface or edge-state dispersing in the energy gap of the bulk and is attributed a non-zero topological index. In this work, we show that such topological indices can be determined experimentally via an accurate measurement of the effective velocity of bulk massive Dirac fermions. We demonstrate this analytically starting from the Bernevig-Hughes-Zhang Hamiltonian (BHZ) to show how the topological index depends on this velocity. We then experimentally extract the topological index in Pb1-xSnxSe and Pb1-xSnxTe using infrared magnetooptical Landau level spectroscopy. This approach is argued to be universal to all material classes that can be described by a BHZ-like model and that host a topological phase transition.

cond-mat.mes-hall↗