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

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 Added by Hendrik Bentmann
 Publication date 2019
  fields Physics
and research's language is English




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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.



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The search for materials to support the Quantum Anomalous Hall Effect (QAHE) have recently centered on intrinsic magnetic topological insulators (MTIs) including MnBi$_2$Te$_4$ or heterostructures made up of MnBi$_2$Te$_4$ and Bi$_2$Te$_3$. While MnBi$_2$Te$_4$ is itself a MTI, most recent ARPES experiments indicate that the surface states on this material lack the mass gap that is expected from the magnetism-induced time-reversal symmetry breaking (TRSB), with the absence of this mass gap likely due to surface magnetic disorder. Here, utilizing small-spot ARPES scanned across the surfaces of MnBi$_4$Te$_7$ and MnBi$_6$Te$_{10}$, we show the presence of large mass gaps (~ 100 meV scale) on both of these materials when the MnBi$_2$Te$_4$ surfaces are buried below one layer of Bi$_2$Te$_3$ that apparently protects the magnetic order, but not when the MnBi$_2$Te$_4$ surfaces are exposed at the surface or are buried below two Bi$_2$Te$_3$ layers. This makes both MnBi$_4$Te$_7$ and MnBi$_6$Te$_{10}$ excellent candidates for supporting the QAHE, especially if bulk devices can be fabricated with a single continuous Bi$_2$Te$_3$ layer at the surface.
Recently, the intrinsic magnetic topological insulator MnBi$_2$Te$_4$ has attracted great attention. It has an out-of-plane antiferromagnetic order, which is believed to open a sizable energy gap in the surface states. This gap, however, was not always observable in the latest angle-resolved photoemission spectroscopy (ARPES) experiments. To address this issue, we analytically derive an effective model for the two-dimensional (2D) surface states by starting from a three-dimensional (3D) Hamiltonian for bulk MnBi$_2$Te$_4$ and taking into account the spatial profile of the bulk magnetization. Our calculations suggest that the diminished surface gap may be caused by a much smaller and more localized intralayer ferromagnetic order. In addition, we calculate the spatial distribution and penetration depth of the surface states, which indicates that the surface states are mainly embedded in the first two septuple layers from the terminating surface. From our analytical results, the influence of the bulk parameters on the surface states can be found explicitly. Furthermore, we derive a $bf{k}cdot bf{p}$ model for MnBi$_2$Te$_4$ thin films and show the oscillation of the Chern number between odd and even septuple layers. Our results will be helpful for the ongoing explorations of the MnBi$_x$Te$_y$ family.
Using scanning tunneling microscopy and spectroscopy, we visualized the native defects in antiferromagnetic topological insulator $mathrm{MnBi_2Te_4}$. Two native defects $mathrm{Mn_{Bi}}$ and $mathrm{Bi_{Te}}$ antisites can be well resolved in the topographic images. $mathrm{Mn_{Bi}}$ tend to suppress the density of states at conduction band edge. Spectroscopy imaging reveals a localized peak-like local density of state at $sim80$~meV below the Fermi energy. A careful inspection of topographic and spectroscopic images, combined with density functional theory calculation, suggests this results from $mathrm{Bi_{Mn}}$ antisites at Mn sites. The random distribution of $mathrm{Mn_{Bi}}$ and $mathrm{Bi_{Mn}}$ antisites results in spatial fluctuation of local density of states near the Fermi level in $mathrm{MnBi_2Te_4}$.
Here we present microscopic evidence of the persistence of uniaxial A-type antiferromagnetic order to the surface layers of MnBi$_2$Te$_4$ single crystals using magnetic force microscopy. Our results reveal termination-dependent magnetic contrast across both surface step edges and domain walls, which can be screened by thin layers of soft magnetism. The robust surface A-type order is further corroborated by the observation of termination-dependent surface spin-flop transitions, which have been theoretically proposed decades ago. Our results not only provide key ingredients for understanding the electronic properties of the antiferromagnetic topological insulator MnBi$_2$Te$_4$, but also open a new paradigm for exploring intrinsic surface metamagnetic transitions in natural antiferromagnets.
The unoccupied part of the band structure in the magnetic topological insulator MnBi$_2$Te$_4$ is studied by first-principles calculations. We find a second, unoccupied topological surface state with similar electronic structure to the celebrated occupied topological surface state. This state is energetically located approximate $1.6$ eV above the occupied Dirac surface state around $Gamma$ point, which permit it to be directly observed by the two-photon angle-resolved photoemission spectroscopy. We propose a unified effective model for the occupied and unoccupied surface states. Due to the direct optical coupling between these two surface states, we further propose two optical effects to detect the unoccupied surface state. One is the polar Kerr effect in odd layer from nonvanishing ac Hall conductance $sigma_{xy}(omega)$, and the other is higher-order terahertz-sideband generation in even layer, where the non-vanishining Berry curvature of the unoccupied surface state is directly observed from the giant Faraday rotation of optical emission.
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