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Title: Characterization of 1T-TiSe2 surface by means of STM and XPD experiments and model calculations
Authors: Kuznetsov, M. V.
Ogorodnikov, I. I.
Vorokh, A. S.
Rasinkin, A. S.
Titov, A. N.
Issue Date: 2012
Citation: Characterization of 1T-TiSe2 surface by means of STM and XPD experiments and model calculations / M. V. Kuznetsov, I. I. Ogorodnikov, A. S. Vorokh, A. S. Rasinkin, A. N. Titov // Surface Science. — 2012. — Vol. 606. — № 23-24. — P. 1760-1770.
Abstract: Scanning tunneling microscopy (STM) and X-ray photoelectron diffraction (XPD) are applied to study the surface of layered dichalcogenide 1T-TiSe 2. XPD pattern simulation for the 1T-TiSe 2 surface is performed in the approach of electron multiple scattering within the EDAC code: considered are models of structural defects in the 1T-TiSe 2 lattice, relaxation contraction (expansion) of surface layers and van der Waals gap, and deviation of the 1T-TiSe 2 surface geometry from the basal plane (001). The atomic structure of 1T-TiSe 2 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 TiSe 2 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-TiSe 2 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. © 2012 Elsevier B.V. All rights reserved.
Access: info:eu-repo/semantics/restrictedAccess
SCOPUS ID: 84866387119
WOS ID: 000309318100003
PURE ID: 1069512
ISSN: 0039-6028
DOI: 10.1016/j.susc.2012.06.008
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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