arXiv subjects

M. M. Otrokov

Publications and source records attributed to M. M. Otrokov.

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↗

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

Gate-controlled proximity effect in superconductor/ferromagnet van der Waals heterostructures

The discovery of 2D materials opens up unprecedented opportunities to design new materials with specified properties. In many cases, the design guiding principle is based on one or another proximity effect, i.e. the nanoscale-penetration of electronic correlations from one material to another. In a few layer van der Waals (vdW) heterostructures the proximity regions occupy the entire system. Here we demonstrate that the physics of magnetic and superconducting proximity effects in 2D superconductor/ferromagnet vdW heterostructures is determined by the effects of interface hybridization of the electronic spectra of both materials. The degree of hybridization can be adjusted by gating, which makes it possible to achieve a high degree of controllability of the proximity effect. In particular, we show that this allows for electrical switching of superconductivity in such structures on and off, as well as for control of the amplitude and sign of the Zeeman splitting of superconducting spectra, opening interesting opportunities for spintronics and spin caloritronics.

cond-mat.supr-con↗

arXiv2024

Unveiling the inter-layer interaction in a 1H/1T TaS$_2$ van de Waals heterostructure

This study delves into the intriguing properties of 1H/1T-TaS$_2$ van der Waals heterostructure, focusing on the transparency of the 1H layer to the Charge Density Wave of the underlying 1T layer. Despite the sizable interlayer separation and metallic nature of the 1H layer, positive bias voltages result in a pronounced superposition of the 1T charge density wave structure on the 1H layer. The conventional explanation relying on tunneling effects proves insufficient. Through a comprehensive investigation combining lowtemperature scanning tunneling microscopy, scanning tunneling spectroscopy, non-contact atomic force microscopy, and firstprinciples calculations, we propose an alternative interpretation. The transparency effect arises from a weak yet substantial electronic coupling between the 1H and 1T layers, challenging prior understanding of the system. Our results highlight the critical role played by interlayer electronic interactions in van der Waals heterostructures to determine the final ground states of the systems.

cond-mat.str-el↗

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

Spin wave excitations in low dimensional systems with large magnetic anisotropy

The low energy excitation spectrum of a two-dimensional ferromagnetic material is dominated by single-magnon excitations that show a gapless parabolic dispersion relation with the spin wave vector. This occurs as long as magnetic anisotropy and anisotropic exchange are negligible compared to isotropic exchange. However, to maintain magnetic order at finite temperatures, it is necessary to have sizable anisotropy to open a gap in the spin wave excitation spectrum. We consider four real two-dimensional systems for which ferromagnetic order at finite temperature has been observed or predicted. Density functional theory calculations of the total energy differences for different spin configurations permit us to extract the relevant parameters and connect them with a spin Hamiltonian. The corresponding values of the Curie temperature are estimated using a simple model and found to be mostly determined by the value of the isotropic exchange. The exchange and anisotropy parameters are used in a toy model of finite-size periodic chains to study the low-energy excitation spectrum, including single-magnon and two-magnon excitations. At low energies we find that single-magnon excitations appear in the spectrum together with two-magnon excitations. These excitations present a gap that grows particularly for large values of the magnetic anisotropy or anisotropic exchange, relative to the isotropic exchange.

cond-mat.mes-hall↗

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

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

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↗

arXiv2020

Origin of the Large Perpendicular Magnetic Anisotropy in Nanometer-thick Epitaxial Graphene/Co/Heavy Metal Heterostructures

A combination of theoretical modelling and experiments reveals the origin of the large perpendicular magnetic anisotropy (PMA) that appears in nanometer-thick epitaxial Co films intercalated between graphene (Gr) and a heavy metal (HM) substrate, as a function of the Co thickness. High quality epitaxial Gr/Co\n/HM(111) (HM=Pt,Ir) heterostructures are grown by intercalation below graphene, which acts as a surfactant that kinetically stabilizes the pseudomorphic growth of highly perfect Co face-centered tetragonal ($fct$) films, with a reduced number of stacking faults as the only structural defect observable by high resolution scanning transmission electron microscopy (HR-STEM). Magneto-optic Kerr effect (MOKE) measurements show that such heterostructures present PMA up to large Co critical thicknesses of about 4~nm (20~ML) and 2~nm (10~ML) for Pt and Ir substrates, respectively, while X-ray magnetic circular dichroism (XMCD) measurements show an inverse power law of the anistropy of the orbital moment with Co thickness, reflecting its interfacial nature, that changes sign at about the same critical values. First principles calculations show that, regardless of the presence of graphene, ideal Co $fct$ films on HM buffers do not sustain PMAs beyond around 6~MLs due to the in-plane contribution of the inner bulk-like Co layers. The large experimental critical thicknesses sustaining PMA can only be retrieved by the inclusion of structural defects that promote a local $hcp$ stacking such as twin boundaries or stacking faults. Remarkably, a layer resolved analysis of the orbital momentum anisotropy reproduces its interfacial nature, and reveals that the Gr/Co interface contribution is comparable to that of the Co/Pt(Ir).

cond-mat.mtrl-sci↗

arXiv2020

Infrared study of the multiband low-energy excitations of the topological antiferromagnet MnBi$_2$Te$_4$

With infrared spectroscopy we studied the bulk electronic properties of the topological antiferromagnet MnBi$_2$Te$_4$ with $T_N \simeq 25~\mathrm{K}$. With the support of band structure calculations, we assign the intra- and interband excitations and determine the band gap of $E_g \approx$ 0.17 eV. We also obtain evidence for two types of conduction bands with light and very heavy carriers. The multiband free carrier response gives rise to an unusually strong increase of the combined plasma frequency, $ω_{\mathrm{pl}}$, below 300 K. The band reconstruction below $T_N$, yields an additional increase of $ω_{\mathrm{pl}}$ and a splitting of the transition between the two conduction bands by about 54 meV. Our study thus reveals a complex and strongly temperature dependent multi-band low-energy response that has important implications for the study of the surface states and device applications.

cond-mat.mtrl-sci↗

arXiv2020

Nature of the Dirac gap modulation and surface magnetic interaction in axion antiferromagnetic topological insulator MnBi$_2$Te$_4$

Modification of the gap at the Dirac point (DP) in antiferromagnetic (AFM) axion topological insulator MnBi$_2$Te$_4$ and its electronic and spin structure has been studied by angle- and spin-resolved photoemission spectroscopy (ARPES) under laser excitation with variation of temperature (9-35~K), light polarization and photon energy. We have distinguished both a large (62-67~meV) and a reduced (15-18~meV) gap at the DP in the ARPES dispersions, which remains open above the Néel temperature ($T_\mathrm{N}=24.5$~K). We propose that the gap above $T_\mathrm{N}$ remains open due to short-range magnetic field generated by chiral spin fluctuations. Spin-resolved ARPES, XMCD and circular dichroism ARPES measurements show a surface ferromagnetic ordering for large-gap sample and significantly reduced effective magnetic moment for the reduced-gap sample. These effects can be associated with a shift of the topological DC state towards the second Mn layer due to structural defects and mechanical disturbance, where it is influenced by a compensated effect of opposite magnetic moments.

cond-mat.mtrl-sci↗

arXiv2019

Variety of magnetic topological phases in the (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_m$ family

Quantum states of matter combining non-trivial topology and magnetism attract a lot of attention nowadays; the special focus is on magnetic topological insulators (MTIs) featuring quantum anomalous Hall and axion insulator phases. Feasibility of many novel phenomena that \emph{intrinsic} magnetic TIs may host depends crucially on our ability to engineer and efficiently tune their electronic and magnetic structures. Here, using angle- and spin-resolved photoemission spectroscopy along with \emph{ab initio} calculations we report on a large family of intrinsic magnetic TIs in the homologous series of the van der Waals compounds (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_m$ with $m=0, ..., 6$. Magnetic, electronic and, consequently, topological properties of these materials depend strongly on the $m$ value and are thus highly tunable. The antiferromagnetic (AFM) coupling between the neighboring Mn layers strongly weakens on moving from MnBi2Te4 (m=0) to MnBi4Te7 (m=1), changes to ferromagnetic (FM) one in MnBi6Te10 (m=2) and disappears with further increase in m. In this way, the AFM and FM TI states are respectively realized in the $m=0,1$ and $m=2$ cases, while for $m \ge 3$ a novel and hitherto-unknown topologically-nontrivial phase arises, in which below the corresponding critical temperature the magnetizations of the non-interacting 2D ferromagnets, formed by the \MBT\, building blocks, are disordered along the third direction. The variety of intrinsic magnetic TI phases in (MnBi$_2$Te$_4$)(Bi$_2$Te$_3$)$_m$ allows efficient engineering of functional van der Waals heterostructures for topological quantum computation, as well as antiferromagnetic and 2D spintronics.

cond-mat.mtrl-sci↗

arXiv2019

Surface states and Rashba-type spin polarization in antiferromagnetic MnBi$_2$Te$_4$

The layered van der Waals antiferromagnet MnBi$_2$Te$_4$ has been predicted to combine the band ordering of archetypical topological insulators such as Bi$_2$Te$_3$ with the magnetism of Mn, making this material a viable candidate for the realization of various magnetic topological states. We have systematically investigated the surface electronic structure of MnBi$_2$Te$_4$(0001) single crystals by use of spin- and angle-resolved photoelectron spectroscopy experiments. In line with theoretical predictions, the results reveal a surface state in the bulk band gap and they provide evidence for the influence of exchange interaction and spin-orbit coupling on the surface electronic structure.

cond-mat.str-el↗

arXiv2018

Competing rhombohedral and monoclinic crystal structures in Mn$Pn_2Ch_4$ compounds: an {\em ab-initio} study

Based on the relativistic spin-polarized density functional theory calculations we investigate the crystal structure, electronic and magnetic properties of a family MnPn2Ch4 compounds, where pnictogen metal atoms (Pn) are Sb and Bi; chalcogens (Ch) are Se, Te. We show that in the series the compounds of this family with heavier elements prefer to adopt rhombohedral crystal structure composed of weakly bonded septuple monoatomic layers while those with lighter elements tend to be in the monoclinic structure. Irrespective of the crystal structure all compounds of the MnPn2Ch4 series demonstrate a weak energy gain (of a few meV per formula unit or even smaller than meV) for antiferromagnetic (AFM) coupling for magnetic moments on Mn atoms with respect to their ferromagnetic (FM) state. For rhombohedral structures the interlayer AFM coupling is preferable while in monoclinic phases intralayer AFM configuration with ferromagnetic ordering along the Mn chain and antiferromagnetic ordering between the chains has a minimum energy. Over the series the monoclinic compounds are characterized by substantially wider bandgap than compounds with rhombohedral structure.

cond-mat.mtrl-sci↗

arXiv2018

Instability of the topological surface state in Bi$_2$Se$_3$ upon deposition of gold

Momentum resolved photoemission spectroscopy indicates the instability of the Dirac surface state upon deposition of gold on the (0001) surface of the topological insulator Bi$_2$Se$_3$. Based on the structure model derived from extended x-ray absorption fine structure experiments showing that gold atoms substitute bismuth atoms, first principles calculations provide evidence that a gap appears due to hybridization of the surface state with gold d-states near the Fermi level. Our findings provide new insights into the mechanisms affecting the stability of the surface state.

cond-mat.mtrl-sci↗