Electronic structure of linear chains of fullerenes

Autor:	V. R. Belosludov, A. A. Remova, V. A. Levashov
Rok vydání:	1997
Předmět:	Fullerene Materials science Physics and Astronomy (miscellaneous) Band gap business.industry Intermolecular force Nanotechnology Electronic structure Orbital overlap Semiconductor Chemical physics Molecule business Electronic band structure
Zdroj:	Journal of Experimental and Theoretical Physics Letters. 65:683-686
ISSN:	1090-6487 0021-3640
DOI:	10.1134/1.567406
Popis:	The band structure of linear chains of fullerene molecules is calculated as a function of the intermolecular π-electron overlap integral T, which increases under increasing external pressure. Chains consisting of neutral (C60) and charged (C 60 − ) molecules are studied. It is shown that there is a sharp transition from a metal (or narrow-gap semiconductor) to an insulator (with band gap ∼1 eV)with increasing T. The proposed model makes it possible to describe the formation of solid-carbon struc-tures, containing chains of covalently bound fullerene molecules, with different pressure-dependent semiconductor properties.
Databáze:	OpenAIRE
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