Vibrations in binary and ternary topological insulators: First-principles calculations and Raman spectroscopy measurements

V. Chis, I. Yu. Sklyadneva, K. A. Kokh, V. A. Volodin, O. E. Tereshchenko, and E. V. Chulkov

Phys. Rev. B 86, 174304 – Published 19 November 2012

Abstract

Density-functional perturbation theory and Raman spectroscopy are used in the study of vibrations in bulk V $_{2}$ VI $_{3}$ binary and ternary topological insulators as well as in ultrathin films composed of one and two quintuple layers. Full dispersion curves along the Brillouin zone symmetry directions are calculated and analyzed and the zone-center Raman active modes are compared to the experimental results. The calculations of the two quintuple layer films reveal modes that correspond to displacements of entire quintuple layer blocks. These modes have low frequencies and are Raman active. The phonon dispersion curves of one and two quintuple layer Bi $_{2}$ Se $_{3}$ films are compared with recent helium atom scattering experiments [Phys. Rev. Lett. 107, 186102 (2011)].

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Received 22 June 2012

DOI:https://doi.org/10.1103/PhysRevB.86.174304

Authors & Affiliations

V. Chis

Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, Donostia-San Sebastián ES-20018, Basque Country, Spain

I. Yu. Sklyadneva

Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, Donostia-San Sebastián ES-20018, Basque Country, Spain, Institute of Strength Physics and Material Science, pr. Academicheskii, 2/1, 634021 Tomsk, Russian Federation, and Tomsk State University, 6340501 Tomsk, Russian Federation

K. A. Kokh

Institute of Geology and Mineralogy, SB RAS, Novosibirsk 630090, Russian Federation

V. A. Volodin and O. E. Tereshchenko

Institute of Semiconductor Physics, Novosibirsk 630090, Russian Federation and Novosibirsk State University, Novosibirsk 636090, Russian Federation

E. V. Chulkov

Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, Donostia-San Sebastián ES-20018, Basque Country, Spain, Departemento de Fisíca de Materiales, Facultad de Ciencias Químicas, UPV/EHU, Apdo. 1072, Donostia-San Sebastián ES-20080, Basque Country, Spain, and Centro de Fisíca de Materiales, CFM–Materials Physics Center MPC, Centro Mixto CSIC-UPV/EHU, Donostia-San Sebastián ES-20018, Basque Country, Spain

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Issue

Vol. 86, Iss. 17 — 1 November 2012

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