arXiv subjects

Vladimir N. Strocov

Publications and source records attributed to Vladimir N. Strocov.

At least 19 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

Quantized Photocurrents in Gapless Topological Matter

The quantum Hall effect establishes that topology can fix a material response to integer multiples of fundamental constants when an energy gap isolates the relevant symmetry-protected electronic states. Whether such universal quantization can also emerge in gapless matter, where topological bands coexist with a continuum of metallic excitations, has remained a fundamental question in the field of quantum materials. Chiral topological semimetals provide a unique setting in which to explore this principle; when optical transitions are confined to a single chiral node, the resulting circular photogalvanic effect is predicted to be quantized by the topological charge of the node. In real materials, however, this nonlinear optical phenomenon has remained experimentally elusive, obscured by trivial band transitions, insufficient energy separation between node pairs, and their relative positions with respect to the Fermi level. Here we observe a quantized circular photogalvanic effect in the chiral topological semimetal Rh0.95Ni0.05Si. Band engineering via Ni substitution opens a photon-energy window dominated by interband optical transitions at the Γ-point multifold node. This allows circularly polarized near- to mid-infrared pulses to drive a helicity-odd terahertz response that manifests three hallmarks of quantization: a sharp onset, a photon-energy-independent plateau governed by the magnitude of the monopole charge, and an abrupt long-wavelength cutoff imposed by Pauli blocking. Our work thus establishes an all-optical analogue of the quantum Hall effect and a new paradigm to realize topological quantization in gapless matter.

cond-mat.mtrl-sci↗

arXiv2026

Direct observation of strain and confinement shaping the hole subbands of Ge quantum wells

Germanium-silicon-germanium (Ge/Si$_{x}$Ge$_{1-x}$) heterostructures have emerged as a promising platform for hole-spin quantum technologies and high-mobility electronics, where strain and quantum confinement strongly reshape the Ge valence bands. However, the momentum-resolved valence-band structure of buried strained Ge quantum wells has so far been inferred only indirectly. Here we use soft X-ray angle-resolved photoemission spectroscopy (SX-ARPES) to directly probe the electronic structure of strained Ge quantum wells embedded in SiGe barriers. We resolve strain-split and size-quantized valence subbands, determine their heavy-hole, light-hole and split-off composition, and measure the valence-band offset at the Ge/SiGe heterojunction. Comparison with ab initio calculations shows that an accurate description requires explicit inclusion of the confinement potential imposed by the SiGe barrier, which plays a decisive role in determining the dispersion, ordering and mixing of the hole states. Our results provide the first direct experimental picture of how strain and confinement determine the valence-band structure of Ge quantum wells, establishing a foundation for predictive modelling of hole-spin qubits and high-mobility devices based on group-IV heterostructures.

cond-mat.mtrl-sci↗

arXiv2026

Quantifying quasiparticle chirality in a chiral topological semimetal

Recently, the projection of the electron's spin on its crystal momentum has been proposed as a metric to quantify electronic chirality of Bloch states in crystals, which is expected to affect a wide range of physical properties, such as magnetoelectric and optical responses. However, a direct experimental quantification of this chirality metric over an entire iso-energy surface has remained elusive. Here, we have used spin- and angle-resolved photoemission spectroscopy to directly probe the electronic chirality by measuring the bulk spin texture of Kramers-Weyl and Weyl cones in RhSi, a chiral topological semimetal with strong spin-orbit coupling (SOC). After quantifying the SOC splitting of Weyl cones, we determine their spin direction along different azimuthal angles to extract energy dependent the deviations (up to ~40°) from perfect parallel spin-momentum locking. From these deviations we define an energy-dependent normalized electron chirality density (NECD), a directly accessible metric of bulk electronic chirality. In RhSi, the NECD decreases from 1 at the Kramers-Weyl point to ~0.8 at ~200 meV below it. Finally, we show that this experimentally grounded NECD provides predictive power for magneto-optical and transport responses of chiral materials, exemplified by the longitudinal Edelstein effect.

cond-mat.mes-hall↗

arXiv2026

Emergent 3D Fermiology and Magnetism in an Intercalated Van der Waals System

Intercalation of magnetic atoms into van der Waals materials provides a versatile platform for tailoring unconventional magnetic properties. However, its impact on electronic dimensionality and exchange mechanisms remains poorly understood. Using Fe-intercalated TaS$_2$ as a model system, we combine X-ray absorption and resonant inelastic scattering with angle-resolved photoemission and first-principles calculations to reveal that intercalation reshapes the host electronic structure. We identify a spin-polarized intercalant-host hybridized band with pronounced out-of-plane dispersion crossing the Fermi level, providing an itinerant channel for interlayer magnetic exchange. This mechanism explains the breakdown of a purely atomic picture and establishes a direct link between lattice geometry, electronic dispersion, and magnetic order. Our findings demonstrate that intercalant-induced itinerancy enables tunable interlayer coupling in otherwise layered magnets, offering a general microscopic framework for engineering magnetic dimensionality in a broad class of intercalated vdW materials.

cond-mat.mtrl-sci↗

arXiv2025

Coexistence of insulator-like paramagnon and metallic spin-orbit exciton modes in SrIrO$_3$

We probe the spectrum of elementary excitations in SrIrO$_3$ by using heterostructured [(SrIrO$_3$)$_m$/(SrTiO$_3$)$_l$] samples to approach the bulk limit. Our resonant inelastic x-ray scattering (RIXS) measurements at the Ir $L_3$-edge reveal a robust low-lying collective magnetic mode with an antiferromagnetic (AF) dispersion similar to the insulators Sr$_2$IrO$_4$ and Sr$_3$Ir$_2$O$_7$, albeit with a large gap and much larger linewidth. At higher energies we find the spin-orbit exciton, also strongly broadened, but with an inverted dispersion and doubled periodicity that are controlled by the charge hopping. These results demonstrate that the AF paramagnon persists, somewhat counterintuitively, far into the metallic regime of the insulator-metal transition driven by the degree of confinement in the heterostructure. We conclude that these two excitations, which are contrasting but coexisting hallmarks of strong AF pseudospin and charge fluctuations in a spin-orbit-coupled Mott-Slater material, are properties intrinsic to the ground state of semimetallic perovskite SrIrO$_3$.

cond-mat.str-el↗

arXiv2025

Visualizing higher-fold topology in chiral crystals

Novel topological phases of matter are fruitful platforms for the discovery of unconventional electromagnetic phenomena. Higher-fold topology is one example, where the low-energy description goes beyond Standard Model analogs. Despite intensive experimental studies, conclusive evidence remains elusive for the \textit{multi-gap topological nature of higher-fold chiral fermions}. In this Letter, we leverage a combination of fine-tuned chemical engineering and photoemission spectroscopy with photon energy contrast to discover the higher-fold topology of a chiral crystal. We identify all bulk branches of a higher-fold chiral fermion for the first time, critically important for allowing us to explore unique Fermi arc surface states in multiple inter-band gaps, which exhibit an emergent ladder structure. Through designer chemical gating of the samples in combination with our measurements, we uncover an unprecedented multi-gap bulk boundary correspondence. Our demonstration of multi-gap electronic topology will propel future research on unconventional topological responses.

cond-mat.mtrl-sci↗

arXiv2025

Impact of static disorder on quasiparticle spectra: Debye-Waller, mean free path and potential fluctuation effects

ARPES is a widely used characterization technique in condensed matter physics, providing direct access to the single-electron spectral function of crystals, including their electronic band structure and Fermi surface. Measuring the band structure of novel quantum materials has been fundamentally important for determining, for example, non-trivial band topology or for identifying new classes of materials. A key challenge with these emerging quantum materials is that their initial crystalline quality is rarely optimized, which directly affects the spectra measured by ARPES. Here, we present a theoretical framework and experimental evidence addressing two common consequences of static disorder in photoemission experiments: the loss of coherent spectral weight and the broadening of spectral features. ARPES spectra can be understood as a sum of coherent and incoherent intensities, with their relative contributions controlled by atomic disorder. Under thermal disorder, the coherent intensity is exponentially suppressed as temperature increases, a phenomenon analogous to the Debye-Waller factor in diffraction, where Bragg peaks diminish in favor of diffuse scattering as disorder increases. In this work, we report a soft X-ray study of the deliberately disordered (via Ar ion sputtering) InAs(110) surface, characterized both by STM and LEED. We introduce a new framework that enables quantification of coherent photoemission intensity loss with increasing disorder, allowing both thermal and static disorder to be treated within a unified approach. Additionally, we identify a second major effect of disorder beyond lifetime broadening: inhomogeneous spectral broadening arising from local potential fluctuations. We show that such fluctuations increase the linewidths of the spectra of localized and delocalized states, and contribute to the suppression of ARPES intensity from states near the Fermi level.

cond-mat.mtrl-sci↗

arXiv2025

Revealing electronic correlations in YNi$_2$B$_2$C using photoemission spectroscopy

We present a combined density functional theory (DFT), one-step model of photoemission, and soft x-ray angle-resolved photoemission spectroscopy (SX-ARPES) study of the electronic structure of the quaternary borocarbide superconductor YNi$_2$B$_2$C. Our analysis reveals the presence of moderate electronic correlations beyond the semilocal DFT within the generalized gradient approximation. We show that DFT and the full potential Korringa-Kohn-Rostoker method combined with the dynamical mean field theory (DFT+DMFT) with average Coulomb interaction U = 3.0 eV and the exchange energy J = 0.9 eV applied to the Ni d-states are necessary for reproducing the experimentally observed SX-ARPES spectra.

cond-mat.str-el↗

arXiv2024

Spin waves and orbital contribution to ferromagnetism in a topological metal

Special arrangements of atoms with more than one atom per unit cell, including honeycomb or kagome (woven bamboo mat) lattices, can host propagating excitations with non-trivial topology as defined by their evolution along closed paths in momentum space. Excitations on such lattices can also be momentum-independent, meaning that they are localized notwithstanding strong hopping of the underlying disturbances between neighbouring sites. The associated flat bands are interesting because the interactions between the heavy quasiparticles inhabiting them will become much more important than for strong dispersion, resulting in novel quantum solid and liquid states. Different stackings of two-dimensional lattices, for example twisted graphene bilayers, provide routes to further engineer topology and many-body effects. Here, we report the discovery, using circularly polarized x-rays for the unambiguous isolation of magnetic signals, of a nearly flat spin wave band and large (compared to elemental iron) orbital moment for the metallic ferromagnet Fe3Sn2, built from compact AB-stacked kagome bilayers and which has a topologically non-trivial electronic band structure controllable by modest external magnetic fields. As a function of out-of-plane momentum, the nearly flat optical mode and the global rotation symmetry-restoring acoustic mode are out of phase, consistent with a bilayer exchange coupling that is larger than the already large in-plane couplings. The defining units of this topological metal are therefore a triangular lattice of octahedral iron clusters rather than weakly coupled kagome planes. The spin waves are strongly damped when compared to elemental iron, opening the topic of interactions of topological bosons (spin waves) and fermions (electrons) with the very specific target of explaining boson lifetimes.

cond-mat.str-el↗

arXiv2024

Momentum-Resolved Fingerprint of Mottness in Layer-Dimerized Nb$_3$Br$_8$

In a well-ordered crystalline solid, insulating behaviour can arise from two mechanisms: electrons can either scatter off a periodic potential, thus forming band gaps that can lead to a band insulator, or they localize due to strong interactions, resulting in a Mott insulator. For an even number of electrons per unit cell, either band- or Mott-insulators can theoretically occur. However, unambiguously identifying an unconventional Mott-insulator with an even number of electrons experimentally has remained a longstanding challenge due to the lack of a momentum-resolved fingerprint. This challenge has recently become pressing for the layer dimerized van der Waals compound Nb$_3$Br$_8$, which exhibits a puzzling magnetic field-free diode effect when used as a weak link in Josephson junctions, but has previously been considered to be a band-insulator. In this work, we present a unique momentum-resolved signature of a Mott-insulating phase in the spectral function of Nb$_3$Br$_8$: the top of the highest occupied band along the out-of-plane dimerization direction $k_z$ has a momentum space separation of $Δk_z=2π/d$, whereas the valence band maximum of a band insulator would be separated by less than $Δk_z=π/d$, where $d$ is the average spacing between the layers. As the strong electron correlations inherent in Mott insulators can lead to unconventional superconductivity, identifying Nb$_3$Br$_8$ as an unconventional Mott-insulator is crucial for understanding its apparent time-reversal symmetry breaking Josephson diode effect. Moreover, the momentum-resolved signature employed here could be used to detect quantum phase transition between band- and Mott-insulating phases in van der Waals heterostructures, where interlayer interactions and correlations can be easily tuned to drive such transition.

cond-mat.str-el↗

arXiv2024

Spin-orbital excitations encoding the magnetic phase transition in the van der Waals antiferromagnet FePS$_{3}$

In the rich phases of van der Waals (vdW) materials featuring intertwined electronic order and collective phenomena, characterizing elementary dynamics that entail the low-energy Hamiltonian and electronic degrees of freedom is of paramount importance. Here we performed resonant inelastic X-ray scattering (RIXS) to elaborate the spin-orbital ground and excited states of the vdW antiferromagnetic insulator FePS$_{3}$, as well as their relation to magnetism. We observed the spectral enhancement of spin-orbital multiplet transitions about $\sim$ 100 and $\sim$ 220 meV, as well as quasielastic response, when entering the zig-zag antiferromagnetic phase, where the spectral changes develop an order-parameter-like evolution with temperature. By comparing with ligand field theory calculations, we discovered the essential role of trigonal lattice distortion and negative metal-ligand charge-transfer to account for these emergent excitations. Such spectral profiles are further examined upon confinement by mechanical exfoliation. We reveal their spectral robustness down to the few atomic layer limit, in accordance with the persistent antiferromagnetic state previously reported in optical measurements. Our study demonstrates the versatile RIXS capability that resolves magneto-crystalline anisotropy and charge-transfer energetics. These provide the crucial insight to understand how the spontaneous magnetic symmetry-breaking stabilizes in the quasi-two-dimensional limit for the vdW magnet FePS$_{3}$.

cond-mat.str-el↗

arXiv2024

Identification of electronic dimensionality reduction in semiconductor quantum well structures

Two-dimensional (2D) systems, such as high-temperature superconductors, surface states of topological insulators, and layered materials, have been intensively studied using vacuum-ultraviolet (VUV) angle-resolved photoemission spectroscopy (ARPES). In semiconductor films (heterostructures), quantum well (QW) states arise due to electron/hole accumulations at the surface (interface). The quantized states due to quantum confinement can be observed by VUV-ARPES, while the periodic intensity modulations along the surface normal (kz) direction of these quantized states are also observable by varying incident photon energy, resembling three-dimensional (3D) band dispersion. We have conducted soft X-ray (SX) ARPES measurements on thick and ultrathin III-V semiconductor InSb(001) films to investigate the electronic dimensionality reduction in semiconductor QWs. In addition to the dissipation of the kz dispersion, the SX-ARPES observations demonstrate the changes of the symmetry and periodicity of the Brillouin zone in the ultrathin film as 2D QW compared with these of the 3D bulk one, indicating the electronic dimensionality reduction of the 3D bulk band dispersion caused by the quantum confinement. The results provide a critical diagnosis using SX-ARPES for the dimensionality reduction in semiconductor QW structures.

cond-mat.mtrl-sci↗

arXiv2024

Observation of Chiral Surface State in Superconducting NbGe$_2$

The interplay between topology and superconductivity in quantum materials harbors rich physics ripe for discovery. In this study, we investigate the topological properties and superconductivity of the nonsymmorphic chiral superconductor NbGe$_2$ using high-resolution angle-resolved pho-toemission spectroscopy (ARPES), transport measurements, and ab initio calculations. The ARPES data revealed exotic chiral surface states on the (100) surface originating from the inherent chiral crystal structure. Supporting calculations indicate that NbGe$_2$ likely hosts elusive Weyl fermions in its bulk electronic structure. Furthermore, we uncovered the signatures of van Hove singularities that can enhance many-body interactions. Additionally, transport measurements demonstrated that NbGe$_2$ exhibits superconductivity below 2K. Overall, our comprehensive results provide the first concrete evidence that NbGe$_2$ is a promising platform for investigating the interplay between non-trivial band topology, possible Weyl fermions, van Hove singularities, and superconductivity in chiral quantum materials.

cond-mat.mes-hall↗

arXiv2024

Flat-band hybridization between $f$ and $d$ states near the Fermi energy of SmCoIn$_5$

We present high-quality angle-resolved photoemission (ARPES) and density functional theory calculations (DFT+U) of SmCoIn$_5$. We find broad agreement with previously published studies of LaCoIn$_5$ and CeCoIn$_5$, confirming that the Sm $4f$ electrons are mostly localized. Nevertheless, our model is consistent with an additional delocalized Sm component, stemming from hybridization between the $4f$ electrons and the metallic bands at "hot spot" positions in the Brillouin zone. The dominant hot spot, called $γ_Z$, is similar to a source of delocalized $f$ states found in previous experimental and theoretical studies of CeCoIn$_5$. In this work, we identify and focus on the role of the Co $d$ states in exploring the relationship between heavy quasiparticles and the magnetic interactions in SmCoIn$_5$, which lead to a magnetically ordered ground state from within an intermediate valence scenario. Specifically, we find a globally flat band consisting of Co $d$ states near $E=-0.7$ eV, indicating the possibility of enhanced electronic and magnetic interactions in the "115" family of materials through localization in the Co layer, and we discuss a possible origin in geometric frustration. We also show that the delocalized Sm $4f$ states can hybridize directly with the Co $3d_{xz}$/$3d_{yz}$ orbitals, which occurs in our model at the Brillouin zone boundary point $R$ in a band that is locally flat and touches the Fermi level from above. Our work identifies microscopic ingredients for additional magnetic interactions in the "115" materials beyond the RKKY mechanism, and strongly suggests that the Co $d$ bands are an important ingredient in the formation of both magnetic and superconducting ground states.

cond-mat.str-el↗

arXiv2024

Direct observation of altermagnetic band splitting in CrSb thin films

Altermagnetism represents an emergent collinear magnetic phase with compensated order and an unconventional alternating even-parity wave spin order in the non-relativistic band structure. We investigate directly this unconventional band splitting near the Fermi energy through spinintegrated soft X-ray angular resolved photoemission spectroscopy. The experimentally obtained angle-dependent photoemission intensity, acquired from epitaxial thin films of the predicted altermagnet CrSb, demonstrates robust agreement with the corresponding band structure calculations. In particular, we observe the distinctive splitting of an electronic band on a low-symmetry path in the Brilliouin zone that connects two points featuring symmetry-induced degeneracy. The measured large magnitude of the spin splitting of approximately 0.6 eV and the position of the band just below the Fermi energy underscores the signifcance of altermagnets for spintronics based on robust broken time reversal symmetry responses arising from exchange energy scales, akin to ferromagnets, while remaining insensitive to external magnetic fields and possessing THz dynamics, akin to antiferromagnets.

cond-mat.mtrl-sci↗

arXiv2023

Nematic charge-density-wave correlations in FeSe$_{1-x}$S$_{x}$

The occurrence of charge-density-wave (CDW) order is a common thread in the phase diagram of cuprate high-transition-temperature ($T_c$) superconductors. In iron-based superconductors (FeSCs), nematic order and fluctuations play a decisive role in driving other emergent orders. CDW order has been observed by scanning tunneling microscopy for various FeSCs such as FeSe thin films, uniaxially strained LiFeAs, and tetragonal FeSe$_{0.81}$S$_{0.19}$. However, it remains elusive if the CDW in these materials is a bulk phenomenon as well as if and how it intertwines with the electronic nematicity. Using energy-resolved resonant X-ray scattering at the Fe-L$_3$ edge, we report the discovery of a local-strain-induced incommensurate isotropic CDW order in FeSe$_{0.82}$S$_{0.18}$. A highly anisotropic CDW response under uniaxial strain unambiguously manifests that the CDW is directly coupled to the nematicity. Transforming part of Fe$^{2+}$ to Fe$^{3+}$ on the surface of FeSe$_{1-x}$S$_{x}$ reveals that the same isotropic CDW can be induced, enhanced, and stabilized in the whole nematic regime measured ($x=0-0.19$). As Fe$^{3+}$ can create local lattice distortions on the surface, the CDW could arise from the interaction between the local strain around Fe$^{3+}$ and the nematic electron correlations. Our experimental observation of a local-strain-induced CDW gives vital information for understanding the interplay between electron correlations and the electronic nematicity in FeSCs.

cond-mat.supr-con↗

arXiv2023

Tunable 2D Electron- and 2D Hole States Observed at Fe/SrTiO$_3$ Interfaces

Oxide electronics provide the key concepts and materials for enhancing silicon-based semiconductor technologies with novel functionalities. However, a basic but key property of semiconductor devices still needs to be unveiled in its oxidic counterparts: the ability to set or even switch between two types of carriers - either negatively (n) charged electrons or positively (p) charged holes. Here, we provide direct evidence for individually emerging n- or p-type 2D band dispersions in STO-based heterostructures using resonant photoelectron spectroscopy. The key to tuning the carrier character is the oxidation state of an adjacent Fe-based interface layer: For Fe and FeO, hole bands emerge in the empty band gap region of STO due to hybridization of Ti and Fe-derived states across the interface, while for Fe$_3$O$_4$ overlayers, an 2D electron system is formed. Unexpected oxygen vacancy characteristics arise for the hole-type interfaces, which as of yet had been exclusively assigned to the emergence of 2DESs. In general, this finding opens up the possibility to straightforwardly switch the type of conductivity at STO interfaces by the oxidation state of a redox overlayer. This will extend the spectrum of phenomena in oxide electronics, including the realization of combined n/p-type all-oxide transistors or logic gates.

cond-mat.mtrl-sci↗