In this paper we propose a model to evaluate the dispersion relationship of Carbon Nanotubes. The model 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, without losing in accuracy.
A Model based on LCAO Theory to Evaluate the Dispersion Equation of Carbon Nanotubes / Marani, Roberto; Perri, Anna Gina. - ELETTRONICO. - 1:1(In corso di stampa), pp. CJEMT-2305-1007.18-CJEMT-2305-1007.23.
A Model based on LCAO Theory to Evaluate the Dispersion Equation of Carbon Nanotubes
Roberto MaraniSoftware
;Anna Gina Perri
Conceptualization
In corso di stampa
Abstract
In this paper we propose a model to evaluate the dispersion relationship of Carbon Nanotubes. The model 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, without losing in accuracy.File in questo prodotto:
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