In this paper a procedure to determine the dispersion relationship of the Carbon NanoTubes (CNT) is proposed. The method is based on the application to band-structure calculation of both of them the tight-binding approximation and the theory of Linear Combination of Atomic Orbitals (LCAO), obtaining a reduction of computational time compared to other methods proposed in literature.
Modelling the Electronic Characteristics of Carbon Nanotubes / Marani, R; Perri, Anna Gina. - (2008). (Intervento presentato al convegno 1st Transalp’Nano 2008 Conference tenutosi a Lione, Francia nel 27 – 29 Ottobre 2008).
Modelling the Electronic Characteristics of Carbon Nanotubes
PERRI, Anna Gina
2008
Abstract
In this paper a procedure to determine the dispersion relationship of the Carbon NanoTubes (CNT) is proposed. The method is based on the application to band-structure calculation of both of them the tight-binding approximation and the theory of Linear Combination of Atomic Orbitals (LCAO), obtaining a reduction of computational time compared to other methods proposed in literature.File in questo prodotto:
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