000202081 001__ 202081
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000202081 0247_ $$2ISSN$$a0163-1829
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000202081 1001_ $$0P:(DE-HGF)0$$aNechaev, I. A.$$b0$$eCorresponding Author
000202081 245__ $$aQuasiparticle spectrum and plasmonic excitations in the topological insulator Sb $_{2}$ Te $_{3}$
000202081 260__ $$aCollege Park, Md.$$bAPS$$c2015
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000202081 520__ $$aWe report first-principles GW results on the dispersion of the bulk band-gap edges in the three-dimensional topological insulator Sb2Te3. We find that, independently of the reference density-functional-theory band structure and the crystal-lattice parameters used, the one-shot GW corrections enlarge the fundamental band gap, bringing its value in close agreement with experiment. We conclude that the GW corrections cause the displacement of the valence-band maximum (VBM) to the Γ point, ensuring that the surface-state Dirac point lies above the VBM. We extend our study to the analysis of the electron-energy-loss spectrum (EELS) of bulk Sb2Te3. In particular, we perform energy-filtered transmission electron microscopy and reflection EELS measurements. We show that the random-phase approximation with the GW quasiparticle energies and taking into account virtual excitations from the semicore states leads to good agreement with our experimental data.
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000202081 7001_ $$0P:(DE-Juel1)145750$$aAguilera, I.$$b1$$ufzj
000202081 7001_ $$0P:(DE-HGF)0$$aDe Renzi, V.$$b2
000202081 7001_ $$0P:(DE-HGF)0$$adi Bona, A.$$b3
000202081 7001_ $$0P:(DE-HGF)0$$aLodi Rizzini, A.$$b4
000202081 7001_ $$0P:(DE-HGF)0$$aMio, A. M.$$b5
000202081 7001_ $$0P:(DE-HGF)0$$aNicotra, G.$$b6
000202081 7001_ $$0P:(DE-HGF)0$$aPolitano, A.$$b7
000202081 7001_ $$0P:(DE-HGF)0$$aScalese, S.$$b8
000202081 7001_ $$0P:(DE-HGF)0$$aAliev, Z. S.$$b9
000202081 7001_ $$0P:(DE-HGF)0$$aBabanly, M. B.$$b10
000202081 7001_ $$0P:(DE-Juel1)130644$$aFriedrich, Christoph$$b11$$ufzj
000202081 7001_ $$0P:(DE-Juel1)130548$$aBlügel, S.$$b12$$ufzj
000202081 7001_ $$0P:(DE-HGF)0$$aChulkov, E. V.$$b13
000202081 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.91.245123$$bAmerican Physical Society (APS)$$d2015-06-11$$n24$$p245123$$tPhysical Review B$$v91$$x1098-0121$$y2015
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