Вид документа : Статья из журнала Шифр издания : 54/E 43 Автор(ы) : Merentsov A. I., Yarmoshenko Yu. M., Skorikov A. N., Titov A. N., Buling A., Rakers M., Neumann M., Galieva E. G., Slepukhin P. A. Заглавие : Electronic structure of CrxTi1-xX2, X = S, Se solid solutions Место публикации : Journal of Electron Spectroscopy and Related Phenomena. - 2010. - Vol. 182, № 1-2. - С. 70-75 Примечания : Bibliogr. : p. 74-75 (13 ref.) ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): 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???? Держатели документа: Центральная научная библиотека УрО РАН Доп.точки доступа: Merentsov, A. I.; Yarmoshenko, Yu. M.; Skorikov, A. N.; Titov, A. N.; Buling, A.; Rakers, M.; Neumann, M.; Galieva, E. G.; Slepukhin, P. A.