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• W3134610061 abstract "Using first-principles density functional theory calculations, we made an accurate structural characterization of the C60 superstructures self-assembled on the Tl-adsorbed Si(111) and Ge(111) surfaces, which finds a good agreement with the recent scanning tunneling microscopy observations. Our band structure calculations revealed the semi-metallic character of the C60/Tl/Si(111) system, while the C60/Tl/Ge(111) system was found to show up the pronounced metallic character due to the cascade of the flat bands lying in the vicinity of the Fermi level. The latter is a fingerprint for strong correlation effects in the C60/Tl/Ge(111) system, which makes it a promising object for studying electrical transport phenomena and opens the prospects for its application in the molecular-based electronic devices. We elucidated the details of the molecule–substrate and intermolecular interactions and discussed the character of a charge transfer in both systems." @default.
• W3134610061 created "2021-03-15" @default.
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• W3134610061 date "2021-03-08" @default.
• W3134610061 modified "2023-10-16" @default.
• W3134610061 title "Structural and electronic properties of C₆₀ fullerene network self-assembled on metal-covered semiconductor surfaces" @default.
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• W3134610061 doi "https://doi.org/10.1063/5.0040483" @default.
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