Центральная Научная Библиотека УрО РАН

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   S 90


    Studying the electronic structure of Cr (x) Ti(1-x) Se(2) by X-ray resonance and absorption spectroscopy [Text] / A. S. Shkvarin, Yu. M. Yarmoshenko, N. A. Skorikov, A. I. Merentsov, A. N. Titov, P. A. Slepukhin, D. E. Marchenko, M. Sperling // Journal of experimental and theoretical physics. - 2011. - Vol. 112, № 1. - P87-93. - Bibliogr. : p. 93 (19 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Cr (x) Ti(1 - x) Se(2) (x = 0-0.83) solid solutions have been synthesized. Single crystals have been grown in the range of concentrations x = 0-0.83. Structural studies of samples have revealed that chromium atoms substitute titanium in the TiSe(2) matrix. The X-ray photoelectron spectra of the core levels, the resonance spectra of the valence bands in 1T-Cr (x) Ti(1 - x) Se(2), and the X-ray absorption spectra of titanium and chromium are studied. The titanium and chromium atoms are shown to have oxidation numbers of +4 and +3, respectively, in an identical octahedral environment. The local density of chromium states has been calculated. The results of the calculation agree well with the experimental data and indicate that the electronic 3d states of chromium substituting titanium in the matrix are spin-polarized and the density of chromium states is halfmetal magnet in behavior

\\\\Expert2\\nbo\\Journal of Experimental and Theoretical Physics\\2011, v.112, N 1, P. 87.pdf
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   E 43


    Electronic structure of CrxTi1-xX2, X = S, Se solid solutions / A. I. Merentsov, Yu. M. Yarmoshenko, A. N. Skorikov, A. N. Titov, A. Buling, M. Rakers, M. Neumann, E. G. Galieva, P. A. Slepukhin // Journal of Electron Spectroscopy and Related Phenomena. - 2010. - Vol. 182, № 1-2. - С. 70-75. - Bibliogr. : p. 74-75 (13 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ELECTRONIC STRUCTURE -- DOS -- SPIN POLARIZATION
Аннотация: We synthesize CrxTi1-xSe2 (x = 0–0.83) and CrxTi1-xS2 (x = 0.3–0.4) systems and study the structure of these materials on mono- and polycrystalline samples. It appeared that an increase in chromium content leads to inversion of titanium diselenide intercalated with chromium to chromium diselenide intercalated with titanium. The XPS of core levels and valence bands of 1T-CrxTi1-xSe2 and CrxTi1-xS2 was also investigated and it was shown that in in-layer and inter-layer positions the atoms of chromium and titanium are characterized by a slightly differing oxidation state. Chromium LDOS model calculations were carried out and the results being in agreement with the experimental data show that the Cr 3d density of electronic states of chromium in Ti-positions in the host lattice displays half-metallic properties, while the Cr 3d density of electronic states of intercalated chromium is far from being half-metallic????

\\\\Expert2\\nbo\\Journal of Electron Spectroscopy and Related Phenomena\\2010, v.182, p.70.pdf
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