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Title: Electronic Structure of Titanium Dichalcogenides TiX2 (X = S, Se, Te)
Authors: Shkvarin, A. S.
Yarmoshenko, Yu. M.
Skorikov, N. A.
Yablonskikh, M. V.
Merentsov, A. I.
Shkvarina, E. G.
Titov, A. N.
Issue Date: 2012
Citation: Electronic Structure of Titanium Dichalcogenides TiX2 (X = S, Se, Te) / A. S. Shkvarin, Yu. M. Yarmoshenko, N. A. Skorikov, M. V. Yablonskikh, A. I. Merentsov, E. G. Shkvarina, A. N. Titov // Journal of Experimental and Theoretical Physics. — 2012. — Vol. 114. — № 1. — P. 150-156.
Abstract: The electronic structure and the chemical bond in titanium dichalcogenides TiX 2 (X = S, Se, Te), which are promising electrode materials for lithium batteries, are studied experimentally and theoretically. It is found that the X-ray photoelectron spectra of the valence bands and the core levels of titanium and its X-ray L 2, 3 absorption spectra demonstrate a change in the ionic and covalent components of the chemical bond in these compounds. The densities of states in these compounds are calculated by the full-potential augmented-plane-wave method, and multiplet calculations of the X-ray L 2, 3 absorption spectra of titanium are performed. It is shown that, in the row TiS 2-TiSe 2-TiTe2, the covalence increases, the ionicity of the chemical bond decreases, and the effect of the crystal field of a ligand is weakened. © Pleiades Publishing, Inc., 2012.
SCOPUS ID: 84860191428
WOS ID: 000301732800015
PURE ID: 1128614
ISSN: 1063-7761
DOI: 10.1134/S1063776112010177
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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