arXiv subjects

Mikhail M. Otrokov

Publications and source records attributed to Mikhail M. Otrokov.

9 recordsLinked to original sources

arXiv2025

Prediction and observation of the first antiferromagnetic topological insulator

Magnetic topological insulators (MTIs) are narrow gap semiconductor materials that combine non-trivial band topology and magnetic order. Unlike their nonmagnetic counterparts, MTIs may have some of the surfaces gapped due to breaking the time-reversal symmetry, which enables a number of exotic phenomena having potential applications in spintronics. So far, MTIs have only been created by means of doping nonmagnetic TIs with 3d transition metal elements, however, such an approach leads to strongly inhomogeneous magnetic and electronic properties of these materials, restricting the observation of important effects to very low temperatures. Finding intrinsic MTI, i.e. a stoichiometric well-ordered magnetic compound, could be an ideal solution to these problems, but no such material was observed to date. Here, using density functional theory we predict and further confirm by means of structural, transport, magnetic, angle- and spin-resolved photoemission spectroscopy measurements the realization of the antiferromagnetic (AFM) TI phase, that is hosted by the van der Waals layered compound MnBi$_2$Te$_4$. An interlayer AFM ordering makes MnBi$_2$Te$_4$ invariant with respect to the combination of the time-reversal ($Θ$) and primitive-lattice translation ($T_{1/2}$) symmetries, $S = ΘT_{1/2}$, giving rise to the $Z_2$ topological classification of AFM insulators. We find $Z_2 = 1$ for MnBi$_2$Te$_4$, which confirms its topologically nontrivial nature. The $S$-breaking (0001) surface of MnBi$_2$Te$_4$ exhibits a giant bandgap in the topological surface state as evidenced by ab initio calculations and photoemission measurements. These results culminate almost a decade-long search of an AFMTI, predicted in 2010. Furthermore, MnBi$_2$Te$_4$ is the first intrinsic magnetic TI realized experimentally.

cond-mat.mtrl-sci↗

arXiv2023

Ferromagnetism on an atom-thick and extended 2D-metal-organic framework

Ferromagnetism (FM) is the cornerstone of permanent magnets, data storage and other technologies that directly impact our everyday life by their implementation in standard applications and devices. When downscaling bulk materials into their two-dimensional (2D) magnetic isotropic form, the Mermin-Wagner theorem precludes this collective state mediated by short-range exchange interactions at finite temperatures. Interestingly, this prediction fails when significant magnetic anisotropy is present in the material, as recently demonstrated in single layered van der Waals crystals. Before the latter, single layer metal-organic frameworks (MOFs) grown on metallic supports were one of the earliest candidates for achieving 2D-FM. Such high expectations were based on the chemical and spacing control of the 2D-MOF magnetic centers, the tunability of the organic linkers and the rich self-assembled architectures displayed. However, despite many attempts, extended FM in 2D-MOFs has been experimentally elusive. In this work, we demonstrate that extended, cooperative FM takes place in an atom thick 2D-MOF consisting of 9,10-dicyanoanthracene (DCA) molecules and Fe adatoms grown on Au(111). We show this by means of an experimental multitechnique approach that is endorsed by state-of-the art first-principles calculations. Particularly, this 2D ferromagnet follows a first order transition with TC ~ 35 K, which is driven by exchange interactions mainly through the molecular linkers (J=2 meV) and exhibits an out-of-plane square-like hysteresis loop. The strict periodicity of our 2D-MOF allows us to envision the fabrication of ultra-dense single atom magnetic memories and opens the way to explore periodic magnetic 2D-models that could considerably increase the fundamental superparamagnetic limit.

cond-mat.mtrl-sci↗

arXiv2022

High Chern number van der Waals magnetic topological multilayers MnBi$_2$Te$_4$/hBN

Chern insulators are two-dimensional magnetic topological materials that conduct electricity along their edges via the one-dimensional chiral modes. The number of these modes is a topological invariant called the first Chern number $C$, that defines the quantized Hall conductance as $S_{xy}= C e^2/h$. Increasing $C$ is pivotal for the realization of low-power-consumption topological electronics, but there has been no clear-cut solution of this problem so far, with the majority of existing Chern insulators showing $C=1$. Here, by using state-of-the-art theoretical methods, we propose an efficient approach for the realization of the high-$C$ Chern insulator state in MnBi$_2$Te$_4$/hBN van der Waals multilayer heterostructures. We show that a stack of $n$ MnBi$_2$Te$_4$ films with $C=1$ intercalated by hBN monolayers gives rise to a high Chern number state with $C=n$, characterized by $n$ chiral edge modes. This state can be achieved both under the external magnetic field and without it, both cases leading to the quantized Hall conductance $S_{xy}= C e^2/h$. Our results therefore pave way to practical high-$C$ quantized Hall systems.

cond-mat.mes-hall↗

arXiv2020

Domain wall induced spin-polarized flat bands in antiferromagnetic topological insulators

A flat band in fermionic system is a dispersionless single-particle state with a diverging effective mass and nearly zero group velocity. These flat bands are expected to support exotic properties in the ground state, which might be important for a wide range of promising physical phenomena. For many applications it is highly desirable to have such states in Dirac materials, but so far they have been reported only in non-magnetic Dirac systems. In this work we propose a realization of topologically protected spin-polarized flat bands generated by domain walls in planar magnetic topological insulators. Using first-principles material design we suggest a family of intrinsic antiferromagnetic topological insulators with an in-plane sublattice magnetization and a high Néel temperature. Such systems can host domain walls in a natural manner. For these materials, we demonstrate the existence of spin-polarized flat bands in the vicinity of the Fermi level and discuss their properties and potential applications.

cond-mat.mes-hall↗

arXiv2018

Unique thickness-dependent properties of the van der Waals interlayer antiferromagnet $\mathrm{MnBi_2Te_4}$ films

Using density functional theory and Monte Carlo calculations, we study the thickness dependence of the magnetic and electronic properties of a van der Waals interlayer antiferromagnet in the two-dimensional limit. Considering $\mathrm{MnBi_2Te_4}$ as a model material, we find it to demonstrate a remarkable set of thickness-dependent magnetic and topological transitions. While a single septuple layer block of $\mathrm{MnBi_2Te_4}$ is a topologically trivial ferromagnet, the thicker films made of an odd (even) number of blocks are uncompensated (compensated) interlayer antiferromagnets, which show wide bandgap quantum anomalous Hall (zero plateau quantum anomalous Hall) states. Thus, $\mathrm{MnBi_2Te_4}$ is the first stoichiometric material predicted to realize the zero plateau quantum anomalous Hall state intrinsically. This state has been theoretically shown to host the exotic axion insulator phase.

cond-mat.mtrl-sci↗

arXiv2018

Highly-ordered wide bandgap materials for quantized anomalous Hall and magnetoelectric effects

An interplay of spin-orbit coupling and intrinsic magnetism is known to give rise to the quantum anomalous Hall and topological magnetoelectric effects under certain conditions. Their realization could open access to low power consumption electronics as well as many fundamental phenomena like image magnetic monopoles, Majorana fermions and others. Unfortunately, being realized very recently, these effects are only accessible at extremely low temperatures and the lack of appropriate materials that would enable the temperature increase is a most severe challenge. Here, we propose a novel material platform with unique combination of properties making it perfectly suitable for the realization of both effects at elevated temperatures. The key element of the computational material design is an extension of a topological insulator (TI) surface by a thin film of ferromagnetic insulator, which is both structurally and compositionally compatible with the TI. Following this proposal we suggest a variety of specific systems and discuss their numerous advantages, in particular wide band gaps with the Fermi level located in the gap.

cond-mat.mtrl-sci↗

arXiv2018

Magnetic properties of metal-organic coordination networks based on 3d transition metal atoms

The magnetic anisotropy and exchange coupling between spins localized at the positions of 3d transition metal atoms forming two-dimensional metal-organic coordination networks (MOCNs) grown on the Au(111) metal surface are studied. In particular, we consider MOCNs made of Ni or Mn metal centers linked by TCNQ (7,7,8,8-tetracyanoquinodimethane) organic ligands, which form rectangular networks with 1:1 stoichiometry. Based on the analysis of X-ray magnetic circular dichroism (XMCD) data taken at T= 2.5 K, we find that Ni atoms in the Ni-TCNQ MOCNs are coupled ferromagnetically and do not show any significant magnetic anisotropy, while Mn atoms in the Mn-TCNQ MOCNs are coupled antiferromagnetically and do show a weak magnetic anisotropy with in-planemagnetization. We explain these observations using both amodelHamiltonian based on mean-fieldWeiss theory and density functional theory calculations that include spin-orbit coupling. Our main conclusion is that the antiferromagnetic coupling between Mn spins and the in-plane magnetization of the Mn spins can be explained neglecting effects due to the presence of the Au(111) surface, while for Ni-TCNQ the metal surface plays a role in determining the absence of magnetic anisotropy in the system.

cond-mat.mes-hall↗

arXiv2017

Spectroscopic perspective on the interplay between electronic and magnetic properties of magnetically doped topological insulators

We combine low energy muon spin rotation (LE-$μ$SR) and soft-X-ray angle-resolved photoemission spectroscopy (SX-ARPES) to study the magnetic and electronic properties of magnetically doped topological insulators, (Bi,Sb)$_2$Te$_3$. We find that one achieves a full magnetic volume fraction in samples of (V/Cr)$_x$(Bi,Sb)$_{2-x}$Te$_3$ at doping levels x $\gtrsim$ 0.16. The observed magnetic transition is not sharp in temperature indicating a gradual magnetic ordering. We find that the evolution of magnetic ordering is consistent with formation of ferromagnetic islands which increase in number and/or volume with decreasing temperature. Resonant ARPES at the V $L_3$ edge reveals a nondispersing impurity band close to the Fermi level as well as V weight integrated into the host band structure. Calculations within the coherent potential approximation of the V contribution to the spectral function confirm that this impurity band is caused by V in substitutional sites. The implications of our results on the observation of the quantum anomalous Hall effect at mK temperatures are discussed.

cond-mat.mtrl-sci↗

arXiv2014

Low coverage surface diffusion in complex energy landscapes: Analytical solution and application to intercalation in topological insulators

A general expression is introduced for the tracer diffusivity in complex periodic energy landscapes with more than one distinct hop rate in two- and three-dimensional diluted systems (low coverage, single-tracer limit). For diffusion in two dimensions, a number of formulas are presented for complex combinations of hop rates in systems with triangular, rectangular and square symmetry. The formulas provide values in excellent agreement with Kinetic Monte Carlo simulations, concluding that the diffusion coefficient can be directly determined from the proposed expressions without performing such simulations. Based on the diffusion barriers obtained from first principles calculations and a physically-meaningful estimate of the attempt frequencies, the proposed formulas are used to analyze the diffusion of Cu, Ag and Rb adatoms on the surface and within the van der Waals (vdW) gap of a model topological insulator, Bi$_{2}$Se$_{3}$. Considering the possibility for adsorbate intercalation from the terraces to the vdW gaps at morphological steps, we infer that, at low coverage and room temperature: (i) a majority of the Rb atoms bounce back at the steps and remain on the terraces, (ii) Cu atoms mostly intercalate into the vdW gap, the remaining fraction staying at the steps, and (iii) Ag atoms essentially accumulate at the steps and gradually intercalate into the vdW gap. These conclusions are in good qualitative agreement with previous experiments.

cond-mat.mtrl-sci↗