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Electronic structure of intertwined kagome, honeycomb, and triangular sublattices of the intermetallics MCo2Al9 (M = Sr, Ba)

Chiara Bigi, Sahar Pakdel, Michał J. Winiarski, Pasquale Orgiani, Ivana Vobornik, Jun Fujii, Giorgio Rossi, Vincent Polewczyk, Phil D. C. King, Giancarlo Panaccione, Tomasz Klimczuk, Kristian Sommer Thygesen, and Federico Mazzola
Phys. Rev. B 108, 075148 – Published 21 August 2023
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Abstract

Intermetallics are an important playground to stabilize a large variety of physical phenomena, arising from their complex crystal structure. The ease of their chemical tunabilty makes them suitable platforms to realize targeted electronic properties starting from the symmetries hidden in their unit cell. Here, we investigate the family of the recently discovered intermetallics MCo2Al9 (M=Sr, Ba) and we unveil their electronic structure. By using angle-resolved photoelectron spectroscopy and density functional theory calculations, we discover the existence of Dirac-like dispersions as ubiquitous features in this family, coming from the hidden kagome and honeycomb symmetries embedded in the unit cell. Finally, from calculations, we expect that the spin-orbit coupling is responsible for opening energy gaps in the electronic structure spectrum, which also affects the majority of the observed Dirac-like states. Our study constitutes an experimental observation of the electronic structure of MCo2Al9 and proposes these systems as hosts of Dirac-like physics with intrinsic spin-orbit coupling. The latter effect suggests MCo2Al9 as a future platform for investigating the emergence of nontrivial topology.

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  • Received 24 January 2023
  • Revised 28 May 2023
  • Accepted 21 July 2023

DOI:https://doi.org/10.1103/PhysRevB.108.075148

©2023 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Chiara Bigi1,2,*, Sahar Pakdel3, Michał J. Winiarski4, Pasquale Orgiani5, Ivana Vobornik5, Jun Fujii5, Giorgio Rossi5,6, Vincent Polewczyk5, Phil D. C. King1, Giancarlo Panaccione5, Tomasz Klimczuk4, Kristian Sommer Thygesen3,†, and Federico Mazzola7,5,‡

  • 1SUPA, School of Physics and Astronomy, University of St Andrews, St Andrews KY16 9SS, United Kingdom
  • 2Synchrotron SOLEIL, F-91190 Saint-Aubin, France
  • 3CAMD, Department of Physics, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark
  • 4Faculty of Applied Physics and Mathematics, Advanced Materials Centre, Gdansk University of Technology, Narutowicza 11/12, PL-80-233 Gdansk, Poland
  • 5Istituto Officina dei Materiali (IOM)-CNR, Laboratorio TASC, Area Science Park, S.S.14, Km 163.5, I-34149 Trieste, Italy
  • 6Department of Physics, University of Milano, I-20133 Milano, Italy
  • 7Department of Molecular Sciences and Nanosystems, Ca' Foscari University of Venice, I-30172 Venice, Italy

  • *chiara.bigi@synchrotron-soleil.fr
  • thygesen@fysik.dtu.dk
  • federico.mazzola@unive.it

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Issue

Vol. 108, Iss. 7 — 15 August 2023

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Images

  • Figure 1
    Figure 1

    MCo2Al9 crystal structure [22]: (a) Side view and (b) top view showing the atomic arrangement within a single unit cell. The atoms arrange themselves in a complex planar geometry which could be thought as the combination of (c) Al kagome, (d) Co honeycomb, and M triangular planes. (e) Example of an electronic structure expected for a kagome symmetry obtained by single-orbital first-neighbor tight-binding calculations. Due to this particular metric, one can expect the electronic structure to exhibit Dirac-like dispersions and flat bands.

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  • Figure 2
    Figure 2

    (a) BZ and projected surface component along with the Fermi surface of SrCo2Al9 collected at 70 eV and with linear horizontal polarization. Strong matrix element effects hinder the detection of any photoemitted signal from the first BZ, therefore we carried out the ARPES characterization in the second zone. (b) Second BZ collected for SrCo2Al9 and (c) energy-momentum spectra along the high-symmetry directions indicated. Dashed orange lines superimposed to the ARPES data are the DFT calculated bands (with SOC). Labeled arrows mark the position of the Dirac crossings discussed in the text. (d) Second BZ collected for BaCo2Al9 and (e) energy-momentum spectra and DFT-calculated band dispersions (with SOC, dashed lines) along the high-symmetry directions indicated. Insets in (c) and (e) report the two-dimensional curvature to show the additional spectral weight close to the Fermi level for BaCo2Al9.

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  • Figure 3
    Figure 3

    Ab initio bulk electronic band dispersion extracted along high-symmetry directions in the ΓKMΓ plane and orbital-projected partial DOS for (a) SrCo2Al9 and (b) BaCo2Al9. Labeled arrows (1)–(3) pin the Dirac-like crossings (“Dc”) while the flat band (“fb”) linked to the hidden Al kagome lattice is highlighted in red and marked by the red arrows both in the band dispersion and in the p-DOS. (c) Orbital character of the SrCo2Al9 band structure along the same high-symmetry path shows that Al p, Co p, and Co d orbitals bring the highest contribution to the states near EF.

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  • Figure 4
    Figure 4

    Effects of SOC on the electronic band structure of (a) SrCo2Al9 and (b) BaCo2Al9. Zoom-in of the colored boxes in (a) shows details of the anticrossing opening gaps induced by SOC at the K and Γ points. Labels (1)–(3) mark the positions of the Dirac crossings discussed above.

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