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Topological band inversion in HgTe(001): Surface and bulk signatures from photoemission

Raphael C. Vidal1, Giovanni Marini2, Lukas Lunczer3, Simon Moser4,5, Lena Fürst3, Julia Issing1, Chris Jozwiak4, Aaron Bostwick4, Eli Rotenberg4 et al.

Charles Gould3, Hartmut Buhmann3, Wouter Beugeling3, Giorgio Sangiovanni6, Domenico Di Sante7,8, Gianni Profeta2, Laurens W. Molenkamp3, Hendrik Bentmann1,*, and Friedrich Reinert1

  • 1Experimentelle Physik VII and Würzburg-Dresden Cluster of Excellence ct.qmat, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany
  • 2Department of Physical and Chemical Sciences and SPIN-CNR, University of L'Aquila, Via Vetoio 10, I-67100 L'Aquila, Italy
  • 3Faculty for Physics and Astronomy (EP3), Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany and Institute for Topological Insulators, Am Hubland, D-97074 Würzburg, Germany
  • 4Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
  • 5Experimental Physics IV and Würzburg-Dresden Cluster of Excellence ct.qmat, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany
  • 6Institut für Theoretische Physik und Astrophysik and Würzburg-Dresden Cluster of Excellence ct.qmat, Universität Würzburg, 97074 Würzburg, Germany
  • 7Department of Physics and Astronomy, University of Bologna, 40127 Bologna, Italy
  • 8Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA

  • *Hendrik.Bentmann@physik.uni-wuerzburg.de; Present address: Department of Physics, Center for Quantum Spintronics, Norwegian University of Science and Technology, NO-7491 Trondheim, Norway.

Phys. Rev. B 107, L121102 – Published 14 March, 2023

DOI: https://doi.org/10.1103/PhysRevB.107.L121102

Abstract

HgTe is a versatile topological material and has enabled the realization of a variety of topological states, including two- and three-dimensional (3D) topological insulators and topological semimetals. Nevertheless, a quantitative understanding of its electronic structure remains challenging, in particular, due to coupling of the Te 5p-derived valence electrons to Hg 5d core states at shallow binding energy. We present a joint experimental and theoretical study of the electronic structure in strained HgTe(001) films in the 3D topological-insulator regime, based on angle-resolved photoelectron spectroscopy and density functional theory. The results establish detailed agreement in terms of: (i) electronic band dispersions and orbital symmetries, (ii) surface and bulk contributions to the electronic structure, and (iii) the importance of Hg 5d states in the valence-band formation. Supported by theory, our experiments directly image the paradigmatic band inversion in HgTe, underlying its nontrivial band topology.

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