Electronic structure of copper intercalated transition metal dichalcogenides: First-principles calculations - Condensed Matter > SuperconductivityReport as inadecuate




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Abstract: We report first principles calculations, within density functional theory, ofcopper intercalated titanium diselenides, CuxTiSe2, for values of x rangingfrom 0 to 0.11. The effect of intercalation on the energy bands and densitiesof states of the host material is studied in order to better understand thecause of the superconductivity that was recently observed in these structures.We find that charge transfer from the copper atoms to the metal dichalcogenidehost layers causes a gradual reduction in the number of holes in the otherwisesemi-metallic pristine TiSe2, thus suppressing the charge density wavetransition at low temperatures, and a corresponding increase in the density ofstates at the Fermi level. These effects are probably what drive thesuperconducting transition in the intercalated systems.



Author: R. A. Jishi, H. M. Alyahyaei

Source: https://arxiv.org/







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