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Nechaev, I. A. [Author]; Aguilera, I. [Author]; Babanly, M. B. [Author]; Friedrich, Christoph [Author]; Blügel, S. [Author]; Chulkov, E. V. [Author]; De Renzi, V. [Author]; di Bona, A. [Author]; Lodi Rizzini, A. [Author]; Mio, A. M. [Author]; Nicotra, G. [Author]; Politano, A. [Author]; Scalese, S. [Author]; Aliev, Z. S. [Author]

Quasiparticle spectrum and plasmonic excitations in the topological insulator Sb $_{2}$ Te $_{3}$

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  • Media type: E-Article
  • Title: Quasiparticle spectrum and plasmonic excitations in the topological insulator Sb $_{2}$ Te $_{3}$
  • Contributor: Nechaev, I. A. [Author]; Aguilera, I. [Author]; Babanly, M. B. [Author]; Friedrich, Christoph [Author]; Blügel, S. [Author]; Chulkov, E. V. [Author]; De Renzi, V. [Author]; di Bona, A. [Author]; Lodi Rizzini, A. [Author]; Mio, A. M. [Author]; Nicotra, G. [Author]; Politano, A. [Author]; Scalese, S. [Author]; Aliev, Z. S. [Author]
  • imprint: APS, 2015
  • Published in: Physical review / B 91(24), 245123 (2015). doi:10.1103/PhysRevB.91.245123
  • Language: English
  • DOI: https://doi.org/10.1103/PhysRevB.91.245123
  • ISSN: 0556-2805; 1550-235X; 1098-0121; 0163-1829; 1095-3795
  • Origination:
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  • Description: We report first-principles GW results on the dispersion of the bulk band-gap edges in the three-dimensional topological insulator Sb2Te3. We find that, independently of the reference density-functional-theory band structure and the crystal-lattice parameters used, the one-shot GW corrections enlarge the fundamental band gap, bringing its value in close agreement with experiment. We conclude that the GW corrections cause the displacement of the valence-band maximum (VBM) to the Γ point, ensuring that the surface-state Dirac point lies above the VBM. We extend our study to the analysis of the electron-energy-loss spectrum (EELS) of bulk Sb2Te3. In particular, we perform energy-filtered transmission electron microscopy and reflection EELS measurements. We show that the random-phase approximation with the GW quasiparticle energies and taking into account virtual excitations from the semicore states leads to good agreement with our experimental data.
  • Access State: Open Access