Quasiparticle spectrum and plasmonic excitations in the topological insulator Sb2Te3

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DOI Доступ к ресурсу на сайте издателя			10.1103/PhysRevB.91.245123

Title: Quasiparticle spectrum and plasmonic excitations in the topological insulator Sb2Te3
Creator: Nechaev, Ilya A.
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De Renzi, V.
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di Bona, A.
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Lodi Rizzini, A.
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Mio, A. M.
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Nicotra, G.
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Politano, Antonio
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Scalese, S.
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Aliev, Ziya S.
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Aguilera, I.
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Babanly, Mahammad B.
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Blügel, S.
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Friedrich, C.
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Chulkov, Evgueni V.
Date: 2015
DOI: 10.1103/PhysRevB.91.245123
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.

Created: 20-06-2017

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Научное управление Quasiparticle spectrum and plasmonic excitations in the topological insulator Sb2Te3