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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2012, Volume 95, Issue 4, Pages 230–235
(Mi jetpl2447)
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This article is cited in 22 scientific papers (total in 22 papers)
CONDENSED MATTER
Ab initio study of 2DEG at the surface of topological insulator Bi$_2$Te$_3$
M. G. Vergniorya, T. V. Men'shikovab, S. V. Eremeevbc, E. V. Chulkovad a Donostia International Physics Center
b Tomsk State University
c Institute of Strength Physics and Materials Science, Siberian Branch of the Russian Academy of Sciences
d Departamento de Física de Materiales, Facultad de Quimica, UPV/EHU, San Sebastian, Basque Country
Abstract:
By means of ab initio DFT-calculation we analyze the
mechanism that drives the formation and evolution of the 2D electron
gas (2DEG) states at the surface of Bi$_2$Te$_3$ topological
insulator (TI). As it has been proved earlier it is due to an expansion of the van der Waals
(vdW) spacing produced by intercalation of adsorbates. We will show
that the effect of this expansion, in this particular surface,
leads to several intriguing phenomena. On one hand we observe a
different dispersion of the Dirac cone with respect to the ideal
surface and the formation of Parabolic Bands (PB) below the conduction band and
$M$-shaped bands in the valence
band, the latters have been observed recently in photoemission experiments.
On the other hand the expansion of the vdW-gaps changes the symmetry
of the orbitals forming the Dirac cone and therefore producing
modifications in the local spin texture. The localization of these
new 2DEG-states and the relocalization of the Dirac cone
will be studied as well.
Received: 26.01.2012
Citation:
M. G. Vergniory, T. V. Men'shikova, S. V. Eremeev, E. V. Chulkov, “Ab initio study of 2DEG at the surface of topological insulator Bi$_2$Te$_3$”, Pis'ma v Zh. Èksper. Teoret. Fiz., 95:4 (2012), 230–235; JETP Letters, 95:4 (2012), 213–218
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https://www.mathnet.ru/eng/jetpl2447 https://www.mathnet.ru/eng/jetpl/v95/i4/p230
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