arXiv subjects

E. V. Chulkov

Publications and source records attributed to E. V. Chulkov.

At least 19 recordsLinked to original sources

arXiv2026

Chromium chalcohalide Janus monolayer ferromagnets with perpendicular magnetic anisotropy and high Curie temperature

Using density functional theory, we revisit the magnetic properties of a recently proposed family of noncentrosymmetric two-dimensional magnetic materials, chromium chalcohalide monolayers, CrXY (X=S, Se, Te; Y=Cl, Br, I). These systems consist of three atomic planes stacked in the X-Cr-Y sequence, which breaks inversion symmetry, giving rise to their designation as "Janus" monolayers. We consider both 1T and 1H structural polymorphs of CrXY. Among the two polymorphs, the 1T phase is consistently more favorable, with energy gains exceeding 0.55 eV per formula unit. Our total-energy calculations reveal that all dynamically stable CrXY monolayers exhibit ferromagnetic coupling. However, robust out-of-plane magnetic anisotropy is observed only in the CrSI and CrSeI compositions, for both 1T and 1H structures. The perpendicular magnetic anisotropy results from a constructive interplay between single-ion and anisotropic exchange contributions that overcome the dipole-dipole interaction. We further quantify the Dzyaloshinskii-Moriya interaction (DMI) in CrSI and CrSeI for both polymorphs, and reveal a weak-to-moderate DMI strength as compared to the isotropic exchange interaction term. Finally, for systems exhibiting ferromagnetic coupling and perpendicular magnetic anisotropy, the exchange and anisotropy parameters derived from density functional theory calculations are employed as inputs for large-scale atomistic spin dynamics simulations to probe the temperature evolution of real-space magnetic structures. The calculated Curie temperatures are at least 210 K for 1T-CrSI, 235-260 K for 1H-CrSeI, and 370-410 K for 1H-CrSI. In contrast, the sizable DMI in 1T-CrSeI results in a worm-like domain ground state at zero external field and enables the stabilization of skyrmions under a perpendicular magnetic field.

cond-mat.mtrl-sci↗

arXiv2026

Anomalous phase shift and superconducting diode effect in Josephson junctions via thin films of rare-earth intermetallic magnets

The superconductor/ferromagnet/superconductor (S/F/S) Josephson junctions (JJs) with an anomalous ground state phase shift $φ_0 \neq 0,π$ ($φ_0$-S/F/S JJs) enable the implementation of the zero-field Josephson diode effect with the possibility to control the diode efficiency and polarity. It is just as important that in this case $φ_0$ provides a coupling between the superconducting phase and the magnetization of the interlayer. Such $φ_0$-S/F/S JJs can be used for superconducting memory and logic circuit applications. Here we present the results of theoretical calculation of the current-phase relationship (CPR), exhibiting the Josephson diode effect and $φ_0\neq 0,π$, for a JJ through a specific magnetic material. As the interlayer of the JJ we consider an ultra-thin film of intermetallic lanthanide ($Ln$)-based compound $\mathrm{GdIr_2Si_2}$. Using the density functional theory (DFT) methods, we study the electronic structure and magnetic properties of the film. Then the effective tight-binding Hamiltonian (TBH), demonstrating high quantitative consistency with the electronic properties obtained from DFT calculations, is constructed. The TBH is used to calculate CPR in the framework of the Bogolubov-de Gennes approach. The CPRs demonstrate a pronounced $φ_0$ of the order of unity and a pronounced Josephson diode effect with the diode efficiency $ \lesssim 0.3$. Moreover, the efficiency can be controlled via rotation of in-plane magnetization in the interlayer. The prospects for utilizing alternative magnetic $Ln$-based materials of the $LnT_2X_2$ family ($T$ is a transition metal and $X$ is a $p$-element from groups III-V) for the implementation in $φ_0$-S/F/S JJs are also discussed.

cond-mat.supr-con↗

arXiv2026

Unveiling the superconducting scenario in multiphase superconductor CeRh$_2$As$_2$ from space-group symmetry analysis and DFT calculations

Despite of the low transition temperature, the recently identified superconductor CeRh$_2$As$_2$ has garnered significant interest due to its unique symmetry and magnetic characteristics, particularly the existence of two superconducting (SC) phases under a magnetic field, one of which exceeds the Pauli-Clogston limit. The field-induced transition from a low-field even-parity state to a high-field odd-parity state is usually described as a singlet-triplet transition. However, it is uncommon for a single compound to exhibit both triplet and singlet SC scenarios. The aim of this paper is to investigate the possibilities of symmetry changes in the SC state without a change of spin multiplicity. To this end, we construct the SC order parameter based on Anderson pair functions, considering the phase winding within the symmetry of the point group $D_{4h}$ and the magnetic group $4/mm^{\prime }m^{\prime}$. It was found that two triplets with opposite-spin and equal-spin pairing states of symmetry $E_{1u}^{\prime +}$, are nodeless but exhibit distinct internal structures and may be associated with low-and high-field phases. Additionally, nontrivial Cooper pairing resulting from the non-symmorphic structure of the space group was examined, particularly in the case where the Fermi surface intersects with the boundaries of a Brillouin zone (BZ). It was determined that at the X point, triplet pairs are even, while singlet pairs can be either even or odd. Furthermore, at the X point, pair density waves that alter phase by $π$ at the atomic centers linked by lattice translations are also feasible. To explore the possibility of such scenarios, precise DFT calculations of the band structure were performed, revealing the contribution of Ce $4f$ electrons to the states at the Fermi level. Thus, the even-odd transition can take place in a triplet scenario at symmetry points of a BZ.

cond-mat.supr-con↗

arXiv2025

Intrinsic magnetic topological insulators of the MnBi${}_2$Te${}_4$ family

This short review appears on the occasion of the fifth anniversary of discovery of intrinsic magnetic topological insulators (MTIs) of the MnBi${}_2$Te${}_4$ family, which have attracted a great deal of attention recently. This family of materials has been discovered in attempts to increase the observation temperature of the quantum anomalous Hall effect as well as to facilitate the eventual realization of the topological magnetoelectric effect. Therefore, we first briefly introduce these effects, then describe the experimental state-of-the-art in the MTIs field just prior to MnBi${}_2$Te${}_4$ appearance, after which we discuss the basic properties of this material and its family. Finally, we overview the exciting progress made during five years of intense research in this field.

cond-mat.mtrl-sci↗

arXiv2024

Interplay between surface Dirac and Rashba states specific for topologically nontrivial van der Waals superlattices

Here we show that, in contrast to the observed surface states in well studied pnictogen chalcogenide van der Waals (vdW) topological insulators (TIs) with quintuple layer (QL) or septuple layer~(SL) structure, in superlattices, comprising the alternating QL and SL vdW blocks, the Dirac state becomes accompanied by emergent spin-polarized states of the Rashba type. This specific feature is caused by an inequivalence of the surface and subsurface structural blocks and an electrostatic potential bending near the surface. Within density functional theory~(DFT) and $\emph{ab-initio}$ tight-binding~(TB) calculations we analyze peculiarities of these states depending on the surface termination, structural parameters and chemical composition. It is found that their possible hybridization with the Dirac state significantly affects its dispersion and spatial localization. We analyze the influence of intrinsic magnetism on behavior of the termination-dependent surface states for magnetic QL/SL superlattices. These findings provide a better understanding of the existing experimental observations of such QL/SL alternating superlattices.

cond-mat.mtrl-sci↗

arXiv2024

Electron States Emerging at Magnetic Domain Wall of magnetic semiconductors with strong Rashba effect

In the present article, we explore the electron properties of magnetic semiconductors with strong Rashba spin-orbit coupling taking into account the presence of domain walls at the sample surface. We consider antiphase domain walls separating domains with both in-plane and out-of-plane magnetization as well as noncollinear domain walls. First, we propose the model and unveil general physical picture of phenomenon supported by analytical arguments. Further, we perform a comprehensive tight-binding numerical calculations to provide a profound understanding of our findings. A domain wall separating domains with any polarization directions is demonstrated to host a bound state. What is more interesting is that we predict that either of these domain walls also induces one-dimensional resonant state. The surface energy spectrum and spin polarization of the states are highly sensitive to the magnetization orientation in the adjacent domains. The spectral broadening and the spatial localization of the resonant state depend significantly on a relation between the Rashba splitting and the exchange one. Our estimation shows that chiral conducting channels associated with the long-lived resonant states can emerge along the magnetic domain walls and can be accessed experimentally at the surface of BiTeI doped with transition metal atoms.

cond-mat.mtrl-sci↗

arXiv2024

Interfacing Quantum Spin Hall and Quantum Anomalous Hall insulators: Bi bilayer on MnBi$_2$Te$_4$-family materials

Meeting of non-trivial topology with magnetism results in novel phases of matter, such as Quantum Anomalous Hall (QAH) or axion insulator phases. Even more exotic states with high and tunable Chern numbers are expected at the contact of intrinsic magnetic topological insulators (IMTIs) and 2D topological insulators (TIs).Here we synthesize a heterostructures composed of 2D TI and 3D IMTIs, specifically of bismuth bilayer on top of MnBi$_2$Te$_4$-family of compounds and study their electronic properties by means of angle-resolved photoelectron spectroscopy (ARPES) and density functional theory (DFT). The epitaxial interface is characterized by hybridized Bi and IMTI electronic states. The Bi bilayer-derived states on different members of MnBi$_2$Te$_4$-family of materials are similar, except in the region of mixing with the topological surface states of the substrate. In that region, the new, substrate dependent interface Dirac state is observed. Our \emph{ab initio} calculations show rich interface phases with emergence of exchange split 1D edge states, making the Bi/IMTI heterostructures promising playground for observation of novel members in the family of quantum Hall effects.

cond-mat.other↗

arXiv2024

Ubiquitous order-disorder transition in the Mn antisite sublattice of the (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_n$ magnetic topological insulators

Magnetic topological insulators (TIs) herald a wealth of applications in spin-based technologies, relying on the novel quantum phenomena provided by their topological properties. Particularly promising is the (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_n$ layered family of established intrinsic magnetic TIs that can flexibly realize various magnetic orders and topological states. High tunability of this material platform is enabled by manganese-pnictogen intermixing, whose amounts and distribution patterns are controlled by synthetic conditions. Positive implication of the strong intermixing in MnSb$_2$Te$_4$ is the interlayer exchange coupling switching from antiferromagnetic to ferromagnetic, and the increasing magnetic critical temperature. On the other side, intermixing also implies atomic disorder which may be detrimental for applications. Here, we employ nuclear magnetic resonance and muon spin spectroscopy, sensitive local probe techniques, to scrutinize the impact of the intermixing on the magnetic properties of (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_n$ and MnSb$_2$Te$_4$. Our measurements not only confirm the opposite alignment between the Mn magnetic moments on native sites and antisites in the ground state of MnSb$_2$Te$_4$, but for the first time directly show the same alignment in (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_n$ with n = 0, 1 and 2. Moreover, for all compounds, we find the static magnetic moment of the Mn antisite sublattice to disappear well below the intrinsic magnetic transition temperature, leaving a homogeneous magnetic structure undisturbed by the intermixing. Our findings provide a microscopic understanding of the crucial role played by Mn-Bi intermixing in (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_n$ and offer pathways to optimizing the magnetic gap in its surface states.

cond-mat.mtrl-sci↗

arXiv2023

Insight into the electronic structure of the centrosymmetric skyrmion magnet GdRu$_2$Si$_2$

The discovery of a square magnetic-skyrmion lattice in GdRu$_2$Si$_2$, with the smallest so far found skyrmion diameter and without a geometrically frustrated lattice, has attracted significant attention, particularly for potential applications in memory devices and quantum computing. In this work, we present a comprehensive study of surface and bulk electronic structures of GdRu$_2$Si$_2$ by utilizing momentum-resolved photoemission (ARPES) measurements and first-principles calculations. We show how the electronic structure evolves during the antiferromagnetic transition when a peculiar helical order of 4$f$ magnetic moments within the Gd layers sets in. A nice agreement of the ARPES-derived electronic structure with the calculated one has allowed us to characterize the features of the Fermi surface (FS), unveil the nested region along the $k_z$ at the corner of the 3D FS, and reveal their orbital compositions. Our findings suggest that the Ruderman-Kittel-Kasuya-Yosida interaction plays a decisive role in stabilizing the spiral-like order of Gd 4$f$ moments responsible for the skyrmion physics in GdRu$_2$Si$_2$. Our results provide a deeper understanding of electronic and magnetic properties of this material, which is crucial for predicting and developing novel skyrmion-based devices.

cond-mat.mtrl-sci↗

arXiv2022

Dramatic Plasmon Response to the Charge-Density-Wave Gap Development in $1\textit{T}-{\mathrm{TiSe}}_{2}$

1T-TiSe2 is one of the most studied charge density wave (CDW) systems, not only because of its peculiar properties related to the CDW transition, but also due to its status as a promising candidate of exciton insulator signaled by the proposed plasmon softening at the CDW wave vector. Using high-resolution electron energy loss spectroscopy, we report a systematic study of the temperature-dependent plasmon behaviors of 1T-TiSe2. We unambiguously resolve the plasmon from phonon modes, revealing the existence of Landau damping to the plasmon at finite momentums, which does not support the plasmon softening picture for exciton condensation. Moreover, we discover that the plasmon lifetime at zero momentum responds dramatically to the bandgap evolution associated with the CDW transition. The interband transitions near the Fermi energy in the normal phase is demonstrated serving as a strong damping channel of plasmons, while such a channel in the CDW phase is suppressed due to the CDW gap opening, which results in the dramatic tunability of the plasmon in semimetals or small-gap semiconductors.

cond-mat.str-el↗

arXiv2022

Interplay between exchange split Dirac and Rashba-type surface states in MnBi$_2$Te$_4$/BiTeI interface

Based on the ab initio calculations, we study the electronic structure of the BiTeI/MnBi2Te4 heterostructure interface composed of the anti-ferromagnetic topological insulator MnBi$_2$Te$_4$ and the polar semiconductor trilayer BiTeI. We found significant difference in electronic properties at different types of contact between substrate and the overlayer. While the case of Te-Te interface forms natural expansion of the substrate, when Dirac cone state locates mostly in the polar overlayer region and undergoes slight exchange splitting, Te-I contact is the source of four-band state contributed by the substrate Dirac cone and Rashba-type state of the polar trilayer. Owing to magnetic proximity, the pair of Kramers degeneracies for this state are lifted, what produces Hall response in transport regime. We believe, our findings provide new opportunities to construct novel type spintronic devices.

cond-mat.mtrl-sci↗

arXiv2022

Crystal structure and Raman active lattice vibrations of magnetic topological insulators MnBi2Te4 n(Bi2Te3) (n = 0, 1, . . . , 6)

Further to the structure of the intrinsic magnetic topological insulators MnBi2Te4 n(Bi2Te3) with n<4, where index n is the number of quintuple Te-Bi-Te-Bi-Te building blocks inserted between the neighboring septuple Te-Bi-Te-Mn-Te-Bi-Te building blocks, the structure of the members with n=4, 5 and 6 was studied using X-ray powder diffraction. The unit cell parameters and atomic positions were calculated. The obtained and available structural data were summarized to show that the crystal structure of all members of MnBi2Te4 n(Bi2Te3) follows the cubic close packing principle, independently of the space group of the given member. Confocal Raman spectroscopy was then applied. Comparative analysis of the number, frequency, symmetry, and broadening of the vibration modes responsible for the lines in the Raman spectra of the systems with n=1,. . . ,6, as well as MnBi2Te4 (n=0) and Bi2Te3 (n=infinity) has shown that lattice dynamics of MnBi2Te4 n(Bi2Te3) with n>0 overwhelmingly dominates by the cooperative atomic displacements in the quintuple building blocks.

cond-mat.mtrl-sci↗

arXiv2021

Native point defects and their implications for the Dirac point gap at MnBi$_2$Te$_4$(0001)

The Dirac point gap at the surface of the antiferromagnetic topological insulator MnBi$_2$Te$_4$ is a highly debated issue. While the early photoemission measurements reported on large gaps in agreement with theoretical predictions, other experiments found vanishingly small splitting of the MnBi$_2$Te$_4$ Dirac cone. Here, we study the crystalline and electronic structure of MnBi$_2$Te$_4$(0001) using scanning tunneling microscopy/spectroscopy (STM/S), micro($μ$)-laser angle resolved photoemission spectroscopy (ARPES), and density functional theory (DFT) calculations. Our topographic STM images clearly reveal features corresponding to point defects in the surface Te and subsurface Bi layers that we identify with the aid of STM simulations as Bi$_\text{Te}$ antisites (Bi atoms at the Te sites) and Mn$_\text{Bi}$ substitutions (Mn atoms at the Bi sites), respectively. X-ray diffraction (XRD) experiments further evidence the presence of cation (Mn-Bi) intermixing. Altogether, this affects the distribution of the Mn atoms, which, inevitably, leads to a deviation of the MnBi$_2$Te$_4$ magnetic structure from that predicted for the ideal crystal structure. Our transport measurements suggest that the degree of this deviation varies from sample to sample. Consistently, the ARPES/STS experiments reveal that the Dirac point gap of the topological surface state is different for different samples/sample cleavages. Our DFT surface electronic structure calculations show that, due to the predominant localization of the topological surface state near the Bi layers, Mn$_\text{Bi}$ defects can cause a strong reduction of the MnBi$_2$Te$_4$ Dirac point gap, given the recently proved antiparallel alignment of the Mn$_\text{Bi}$ moments with respect to those of the Mn layer. Our results provide a key to puzzle out the MnBi$_2$Te$_4$ Dirac point gap mystery.

cond-mat.mtrl-sci↗

arXiv2021

Novel magnetic stoichiometric superconductor EuRbFe4As4

In the novel stoichiometric iron-based material RbEuFe4As4 superconductivity coexists with a peculiar long-range magnetic order of Eu 4f states; their coexistance is puzzling and represents a challenge for both experiment and theory. Using angle-resolved photoemission spectroscopy, resonant photoemission spectroscopy, Andreev reflection spectroscopy and scanning tunneling spectroscopy we have addressed this puzzle and unambigously shown that Fe- and Eu-derived states are largely decoupled and that superconducting and a long range magnetic orders exist almost independently from each other.

cond-mat.supr-con↗

arXiv2021

Sample-dependent Dirac point gap in MnBi$_2$Te$_4$ and its response to the applied surface charge: a combined photoemission and ab initio study

Recently discovered intrinsic antiferromagnetic topological insulator MnBi$_2$Te$_4$ presents an exciting platform for realization of the quantum anomalous Hall effect and a number of related phenomena at elevated temperatures. An important characteristic making this material attractive for applications is its predicted large magnetic gap at the Dirac point (DP). However, while the early experimental measurements reported on large DP gaps, a number of recent studies claimed to observe a gapless dispersion of the MnBi$_2$Te$_4$ Dirac cone. Here, using micro($μ$)-laser angle-resolved photoemission spectroscopy, we study the electronic structure of 15 different MnBi$_2$Te$_4$ samples, grown by two different chemists groups. Based on the careful energy distribution curves analysis, the DP gaps between 15 and 65 meV are observed, as measured below the Néel temperature at about 10-16 K. At that, roughly half of the studied samples show the DP gap of about 30 meV, while for a quarter of the samples the gaps are in the 50 to 60 meV range. Summarizing the results of both our and other groups, in the currently available MnBi$_2$Te$_4$ samples the DP gap can acquire an arbitrary value between a few and several tens of meV. Further, based on the density functional theory, we discuss a possible factor that might contribute to the reduction of the DP gap size, which is the excess surface charge that can appear due to various defects in surface region. We demonstrate that the DP gap is influenced by the applied surface charge and even can be closed, which can be taken advantage of to tune the MnBi$_2$Te$_4$ DP gap size.

cond-mat.mtrl-sci↗

arXiv2021

Spectral features of magnetic domain walls on surface of 3D topological insulators

We present a theoretical investigation of electron states hosted by magnetic domain walls on the 3D topological insulator surface. The consideration includes the domain walls with distinct vectorial and spatial textures. The study is carried out on the basis of the Hamiltonian for quasi-relativistic fermions by using a continual approach and tight-binding calculations. We derive the spectral characteristics and spatial localization of the the one-dimensional low-energy states appearing at the domain walls. The antiphase domain walls are shown to generate the topologically protected chiral states with linear dispersion, the group velocity and spin-polarization direction of which depend on an easy axis orientation. In the case of an easy plane anisotropy, we predict a realization of a dispersionless state, flat band in the energy spectrum, that is spin-polarized along the surface normal. Modification of the surface states in the multi-domain case, which is approximated by a periodic set of domain walls, is described as well. We find that the magnetic domain walls with complex internal texture, such as Néel-like or Bloch-like walls, also host the topological states, although their spectrum and spin structure can be changed compared with the sharp wall case.

cond-mat.mes-hall↗

arXiv2021

Mn-rich MnSb2Te4: A topological insulator with magnetic gap closing at high Curie temperatures of 45-50 K

Ferromagnetic topological insulators exhibit the quantum anomalous Hall effect that might be used for high precision metrology and edge channel spintronics. In conjunction with superconductors, they could host chiral Majorana zero modes which are among the contenders for the realization of topological qubits. Recently, it was discovered that the stable 2+ state of Mn enables the formation of intrinsic magnetic topological insulators with A1B2C4 stoichiometry. However, the first representative, MnBi2Te4, is antiferromagnetic with 25 K Néel temperature and strongly n-doped. Here, we show that p-type MnSb2Te4, previously considered topologically trivial, is a ferromagnetic topological insulator in the case of a few percent of Mn excess. It shows (i) a ferromagnetic hysteresis with record high Curie temperature of 45-50 K, (ii) out-of-plane magnetic anisotropy and (iii) a two-dimensional Dirac cone with the Dirac point close to the Fermi level which features (iv) out-of-plane spin polarization as revealed by photoelectron spectroscopy and (v) a magnetically induced band gap that closes at the Curie temperature as demonstrated by scanning tunneling spectroscopy. Moreover, it displays (vi) a critical exponent of magnetization beta~1, indicating the vicinity of a quantum critical point. Ab initio band structure calculations reveal that the slight excess of Mn that substitutionally replaces Sb atoms provides the ferromagnetic interlayer coupling. Remaining deviations from the ferromagnetic order, likely related to this substitution, open the inverted bulk band gap and render MnSb2Te4 a robust topological insulator and new benchmark for magnetic topological insulators.

cond-mat.mtrl-sci↗

arXiv2021

Topological magnetic materials of the (MnSb$_2$Te$_4$)$\cdot$(Sb$_2$Te$_3$)$_n$ van der Waals compounds family

Combining robust magnetism, strong spin-orbit coupling and unique thickness-dependent properties of van der Waals crystals could enable new spintronics applications. Here, using density functional theory, we propose the (MnSb$_2$Te$_4$)$\cdot$(Sb$_2$Te$_3$)$_n$ family of stoichiometric van der Waals compounds that harbour multiple topologically-nontrivial magnetic phases. In the groundstate, the first three members of the family, i.e. MnSb$_2$Te$_4$, ($n=0$), MnSb$_4$Te$_7$, ($n=1$), and MnSb$_6$Te$_{10}$, ($n=2$), are 3D antiferromagnetic topological insulators (AFMTIs), while for $n \geq 3$ a special phase is formed, in which a nontrivial topological order coexists with a partial magnetic disorder in the system of the decoupled 2D ferromagnets, whose magnetizations point randomly along the third direction. Furthermore, due to a weak interlayer exchange coupling, these materials can be field-driven into the FM Weyl semimetal ($n=0$) or FM axion insulator states ($n \geq 1$). Finally, in two dimensions we reveal these systems to show intrinsic quantum anomalous Hall and AFM axion insulator states, as well as quantum Hall state, achieved under external magnetic field, but without Landau levels. Our results provide a solid computational proof that MnSb$_2$Te$_4$, is not topologically trivial as was previously believed that opens possibilities of realization of a wealth of topologically-nontrivial states in the (MnSb$_2$Te$_4$)$\cdot$(Sb$_2$Te$_3$)$_n$ family.

cond-mat.mtrl-sci↗