Atomic structure of ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$ and ${\mathrm{Bi}}_{2}{\mathrm{Te}}_{3}$ (111) surfaces probed by photoelectron diffraction and holography

Atomic structure of ${Bi}_{2} {Se}_{3}$ and ${Bi}_{2} {Te}_{3}$ (111) surfaces probed by photoelectron diffraction and holography

Mikhail V. Kuznetsov, Lada V. Yashina, Jaime Sánchez-Barriga, Ilya I. Ogorodnikov, Andrey S. Vorokh, Andrey A. Volykhov, Roland J. Koch, Vera S. Neudachina, Marina E. Tamm, Anna P. Sirotina, Andrei Yu. Varykhalov, Gunther Springholz, Günther Bauer, John D. Riley, and Oliver Rader

Phys. Rev. B 91, 085402 – Published 2 February 2015

Abstract

Understanding how topologically protected surface states behave at surfaces and interfaces requires knowledge of the atomic structure. Whether the (111) surfaces of the prototypical topological insulators ${Bi}_{2} {Se}_{3}$ and ${Bi}_{2} {Te}_{3}$ are Bi or chalcogen terminated is the subject of current controversies. We employ photoelectron diffraction and holography, combining the advantages and avoiding the disadvantages of the contesting techniques previously used. We find bulklike chalcogen termination with a very small surface relaxation $(< 1 %)$ in agreement with density functional theory simulations. We prove the chalcogen termination for cleaved crystals and epitaxial films which shows the robustness of our conclusions.

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Received 8 September 2014
Revised 18 November 2014

DOI:https://doi.org/10.1103/PhysRevB.91.085402

Authors & Affiliations

Mikhail V. Kuznetsov¹, Lada V. Yashina^2,*, Jaime Sánchez-Barriga³, Ilya I. Ogorodnikov^1,4, Andrey S. Vorokh¹, Andrey A. Volykhov^2,5, Roland J. Koch⁶, Vera S. Neudachina², Marina E. Tamm², Anna P. Sirotina², Andrei Yu. Varykhalov³, Gunther Springholz⁷, Günther Bauer⁷, John D. Riley⁸, and Oliver Rader³

¹Institute of Solid State Chemistry of the Ural Branch of the Russian Academy of Sciences, Pervomayskaya Street 91, 620990 Ekaterinburg, Russia
²Department of Chemistry, Moscow State University, Leninskie Gory 1/3, 119991 Moscow, Russia
³Helmholtz-Zentrum Berlin für Materialien und Energie, Elektronenspeicherring BESSY II, Albert-Einstein-Strasse 15, 12489 Berlin, Germany
⁴Ural Federal University, Mira Street 19, 620002 Ekaterinburg, Russia
⁵Institute of General and Inorganic Chemistry RAS, Leninsky Avenue 31, 119991 Moscow, Russia
⁶Institut für Physik, Technische Universität Chemnitz, Reichenhainer Strasse 70, 09126 Chemnitz, Germany
⁷Institut für Halbleiter und Festkörperphysik, Johannes Kepler Universität, Altenberger Strasse 69, 4040 Linz, Austria
⁸Department of Physics, La Trobe University, Bundoora, Victoria 3086, Australia

^*Yashina@inorg.chem.msu.ru

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Vol. 91, Iss. 8 — 15 February 2015

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Physical Review B

covering condensed matter and materials physics

Atomic structure of ${Bi}_{2} {Se}_{3}$ and ${Bi}_{2} {Te}_{3}$ (111) surfaces probed by photoelectron diffraction and holography

Mikhail V. Kuznetsov, Lada V. Yashina, Jaime Sánchez-Barriga, Ilya I. Ogorodnikov, Andrey S. Vorokh, Andrey A. Volykhov, Roland J. Koch, Vera S. Neudachina, Marina E. Tamm, Anna P. Sirotina, Andrei Yu. Varykhalov, Gunther Springholz, Günther Bauer, John D. Riley, and Oliver Rader

Phys. Rev. B 91, 085402 – Published 2 February 2015

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Physical Review B

covering condensed matter and materials physics

Atomic structure of Bi2Se3 and Bi2Te3 (111) surfaces probed by photoelectron diffraction and holography

Mikhail V. Kuznetsov, Lada V. Yashina, Jaime Sánchez-Barriga, Ilya I. Ogorodnikov, Andrey S. Vorokh, Andrey A. Volykhov, Roland J. Koch, Vera S. Neudachina, Marina E. Tamm, Anna P. Sirotina, Andrei Yu. Varykhalov, Gunther Springholz, Günther Bauer, John D. Riley, and Oliver Rader

Phys. Rev. B 91, 085402 – Published 2 February 2015

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Atomic structure of ${Bi}_{2} {Se}_{3}$ and ${Bi}_{2} {Te}_{3}$ (111) surfaces probed by photoelectron diffraction and holography