Bulk band structure of Bi2Te3

Matteo Michiardi, Irene Aguilera, Marco Bianchi, Vagner Eustáquio de Carvalho, Luiz Orlando Ladeira, Nayara Gomes Teixeira, Edmar Avellar Soares, Christoph Friedrich, Stefan Blügel, and Philip Hofmann
Phys. Rev. B 90, 075105 – Published 5 August 2014

Abstract

The bulk band structure of Bi2Te3 has been determined by angle-resolved photoemission spectroscopy and compared to first-principles calculations. We have performed calculations using the local density approximation (LDA) of density functional theory and the one-shot GW approximation within the all-electron full-potential linearized augmented-plane-wave (FLAPW) formalism, fully taking into account spin-orbit coupling. Quasiparticle effects produce significant changes in the band structure of Bi2Te3 when compared to LDA. Experimental and calculated results are compared in the spectral regions where distinct differences between the LDA and GW results are present. Overall a superior agreement with GW is found, highlighting the importance of many-body effects in the band structure of this family of topological insulators.

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  • Received 13 March 2014
  • Revised 16 June 2014

DOI:https://doi.org/10.1103/PhysRevB.90.075105

©2014 American Physical Society

Authors & Affiliations

Matteo Michiardi1, Irene Aguilera2, Marco Bianchi1, Vagner Eustáquio de Carvalho3, Luiz Orlando Ladeira3, Nayara Gomes Teixeira3, Edmar Avellar Soares3, Christoph Friedrich2, Stefan Blügel2, and Philip Hofmann1

  • 1Department of Physics and Astronomy, Interdisciplinary Nanoscience Center, Aarhus University, 8000 Aarhus C, Denmark
  • 2Peter Grünberg Institute and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany
  • 3Departamento de Física, ICEx, Universidade Federal de Minas Gerais, 30123-970 Belo Horizonte, MG, Brazil

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Issue

Vol. 90, Iss. 7 — 15 August 2014

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