کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5396554 | 1505754 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electronic structure of CrxTi1âxX2, XÂ =Â S, Se solid solutions
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We synthesize CrxTi1âxSe2 (x = 0-0.83) and CrxTi1âxS2 (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-CrxTi1âxSe2 and CrxTi1âxS2 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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 182, Issues 1â2, November 2010, Pages 70-75
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 182, Issues 1â2, November 2010, Pages 70-75
نویسندگان
A.I. Merentsov, Yu M. Yarmoshenko, A.N. Skorikov, A.N. Titov, A. Buling, M. Räkers, M. Neumann, E.G. Galieva, P.A. Slepuhin,