Atomic structure of Bi2Se3 and Bi2Te3 (111) surfaces probed by photoelectron diffraction and holography / Kuznetsov Mikhail V.,Yashina Lada V.,Sanchez-Barriga Jaime,Ogorodnikov Ilya I.,Vorokh Andrey S.,Volykhov Andrey A.,Koch Roland J.,Neudachina Vera S.,Tamm Marina E.,Sirotina Anna P.,Varykhalov Andrei Yu.,Springholz Gunther,Bauer Guenther,Riley John D.,Rader Oliver // PHYSICAL REVIEW B. - 2015. - V. 91, l. 8.

ISSN/EISSN:
1098-0121 / 1550-235X
Type:
Article
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 Bi2Se3 and Bi2Te3 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.
Author keywords:
INITIO MOLECULAR-DYNAMICS; AB-INITIO; TOPOLOGICAL INSULATORS; TRANSITION; GROWTH; METALS; FILMS
DOI:
10.1103/PhysRevB.91.085402
Web of Science ID:
ISI:000348874300006
Соавторы в МНС:
Другие поля
Поле Значение
Month FEB 2
Publisher AMER PHYSICAL SOC
Address ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Language English
Article-Number 085402
EISSN 1550-235X
Keywords-Plus INITIO MOLECULAR-DYNAMICS; AB-INITIO; TOPOLOGICAL INSULATORS; TRANSITION; GROWTH; METALS; FILMS
Research-Areas Physics
Web-of-Science-Categories Physics, Condensed Matter
Author-Email Yashina@inorg.chem.msu.ru
ResearcherID-Numbers Varykhalov, Andrei/I-3571-2013 Register, CMSS/G-7191-2015 Sanchez-Barriga, Jaime/I-3493-2013 Koch, Roland/A-3927-2015 Rader, Oliver/H-8498-2013 Vorokh, Andrey/D-1118-2010
ORCID-Numbers Varykhalov, Andrei/0000-0002-7901-3562 Sanchez-Barriga, Jaime/0000-0001-9947-6700 Koch, Roland/0000-0001-5748-8463 Rader, Oliver/0000-0003-3639-0971 Vorokh, Andrey/0000-0002-2384-5378 Volykhov, Andrey/0000-0003-4761-7887 Yashina, Lada/0000-0002-8370-9140 Springholz, Gunther/0000-0003-3133-4815
Funding-Acknowledgement bilateral program ``Russian-German Laboratory at BESSY II{''}; DFG {[}SPP 1666]; Impuls- und Vernetzungsfonds der Helmholtz-Gemeinschaft {[}HRJRG-408]; Russian Foundation for Basic Research {[}13-02-91327, 13-03-96032, 14-02-31716]; G-RISC (German-Russian Interdisciplinary Science Center) Centre of Excellence; Ural Branch of Russian Academy of Sciences {[}12-U-3-1006, 12-M-23-2010]; Austrian Science Fund {[}SFB-025 IR-ON]
Funding-Text The authors acknowledge financial support within the bilateral program ``Russian-German Laboratory at BESSY II{''} and thank the Helmholtz Zentrum (Berlin) for granting access to the beamlines UE112-PGM2a and U49-PGM1. The DFT (density functional theory) calculations were performed using SKIF and the ``Lomonosov{''} supercomputer, Supercomputing Center of Lomonosov Moscow State University. The work was financially supported by DFG priority program SPP 1666, Impuls- und Vernetzungsfonds der Helmholtz-Gemeinschaft (Grant No. HRJRG-408) and Russian Foundation for Basic Research (Grant No. 13-02-91327). A.P.S. acknowledges the support of the G-RISC (German-Russian Interdisciplinary Science Center) Centre of Excellence. M.V.K., I.I.O., and A.S.V. acknowledge the financial support of Russian Foundation for Basic Research (Grants No. 13-03-96032 and No. 14-02-31716) and Ural Branch of Russian Academy of Sciences (Grants No. 12-U-3-1006 and No. 12-M-23-2010). G.S. acknowledges the support of the Austrian Science Fund, Project SFB-025 IR-ON. The authors are grateful to Dr. Petar Stojanov and Dr. Anton Tadich for technical assistance and consultations.
Number-of-Cited-References 34
Usage-Count-Last-180-days 6
Usage-Count-Since-2013 78
Journal-ISO Phys. Rev. B
Doc-Delivery-Number CA4KZ