001     202081
005     20230426083126.0
024 7 _ |a 10.1103/PhysRevB.91.245123
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024 7 _ |a 0163-1829
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024 7 _ |a 0556-2805
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024 7 _ |a 1095-3795
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024 7 _ |a 1098-0121
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024 7 _ |a 1550-235X
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024 7 _ |a 2128/8879
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037 _ _ |a FZJ-2015-04370
041 _ _ |a English
082 _ _ |a 530
100 1 _ |a Nechaev, I. A.
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245 _ _ |a Quasiparticle spectrum and plasmonic excitations in the topological insulator Sb $_{2}$ Te $_{3}$
260 _ _ |a College Park, Md.
|c 2015
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336 7 _ |a Journal Article
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520 _ _ |a 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.
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542 _ _ |i 2015-06-11
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700 1 _ |a De Renzi, V.
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700 1 _ |a di Bona, A.
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700 1 _ |a Lodi Rizzini, A.
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700 1 _ |a Nicotra, G.
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700 1 _ |a Politano, A.
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700 1 _ |a Scalese, S.
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700 1 _ |a Aliev, Z. S.
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700 1 _ |a Babanly, M. B.
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700 1 _ |a Friedrich, Christoph
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700 1 _ |a Blügel, S.
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700 1 _ |a Chulkov, E. V.
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773 1 8 |a 10.1103/physrevb.91.245123
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|t Physical Review B
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773 _ _ |a 10.1103/PhysRevB.91.245123
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