Characterization of 1T-TiSe2 surface by means of STM and XPD experiments and model calculations / Kuznetsov M. V.,Ogorodnikov I. I.,Vorokh A. S.,Rasinkin A. S.,Titov A. N. // SURFACE SCIENCE. - 2012. - V. 606, l. 23-24. - P. 1760-1770.

ISSN/EISSN:

0039-6028 / 1879-2758

Type:

Article

Abstract:

Scanning tunneling microscopy (STM) and X-ray photoelectron diffraction (XPD) are applied to study the surface of layered dichalcogenide 1T-TiSe2. XPD pattern simulation for the 1T-TiSe2 surface is performed in the approach of electron multiple scattering within the EDAC code: considered are models of structural defects in the 1T-TiSe2 lattice, relaxation contraction (expansion) of surface layers and van der Waals gap, and deviation of the 1T-TiSe2 surface geometry from the basal plane (001). The atomic structure of 1T-TiSe2 surface layers is reconstructed from the XPD pattern on Se(LMM) and Ti2p core level using the photoelectron holography scattering pattern extraction algorithm with maximum entropy method (SPEA-MEM). The results of the 3D reconstruction are in agreement with the XPD pattern simulation data. In both cases, the TiSe2 surface corresponds to 1T polytype; an increase is observed in the parameter a(0) and in the van der Waals gap between two surface slabs. It is assumed that similar structural distortions of the 1T-TiSe2 lattice lead to the formation of an energy gap between the valence band and the conduction band of titanium diselenide, which was observed earlier by photoemission spectroscopy and follows from the theoretical calculations. (C) 2012 Elsevier B.V. All rights reserved.

Author keywords:

Surface structure; Titanium diselenide; Scanning tunneling microscopy; Photoelectron holography; X-ray photoelectron diffraction; Surface relaxation RAY PHOTOELECTRON DIFFRACTION; TRANSITION-METAL DICHALCOGENIDES; SCANNING-TUNNELING-MICROSCOPY; ELECTRONIC-STRUCTURE; MULTIPLE-SCATTERING; ATOMIC-STRUCTURE; TIS2; HOLOGRAPHY; IMAGES

DOI:

10.1016/j.susc.2012.06.008

Web of Science ID:

ISI:000309318100003

Соавторы в МНС:

Другие поля

Поле	Значение
Month	DEC
Publisher	ELSEVIER SCIENCE BV
Address	PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Language	English
EISSN	1879-2758
Keywords-Plus	RAY PHOTOELECTRON DIFFRACTION; TRANSITION-METAL DICHALCOGENIDES; SCANNING-TUNNELING-MICROSCOPY; ELECTRONIC-STRUCTURE; MULTIPLE-SCATTERING; ATOMIC-STRUCTURE; TIS2; HOLOGRAPHY; IMAGES
Research-Areas	Chemistry; Physics
Web-of-Science-Categories	Chemistry, Physical; Physics, Condensed Matter
Author-Email	kuznetsov@ihim.uran.ru
ResearcherID-Numbers	Vorokh, Andrey/D-1118-2010 Titov, Alexander/K-4328-2013 Kuznetsov, Mikhail/N-4007-2014
ORCID-Numbers	Vorokh, Andrey/0000-0002-2384-5378 Titov, Alexander/0000-0003-3636-2604 Kuznetsov, Mikhail/0000-0002-4464-0355
Funding-Acknowledgement	Russian Foundation for Basic Research {[}10-03-96047, 11-03-00063]; Presidium of the Ural Branch of Russian Academy of Sciences {[}12-M-23-2010, 12-P-3-1015, 12-U-3-1006]
Funding-Text	The work was supported by the Russian Foundation for Basic Research (grants nos. 10-03-96047, 11-03-00063) and Presidium of the Ural Branch of Russian Academy of Sciences (grants nos. 12-M-23-2010, 12-P-3-1015, 12-U-3-1006).
Number-of-Cited-References	37
Usage-Count-Last-180-days	3
Usage-Count-Since-2013	115
Journal-ISO	Surf. Sci.
Doc-Delivery-Number	013PU