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. - In: CASPIAN JOURNAL OF ENGINEERING MODERN TECHNOLOGIES. - ISSN 3060-5709. - ELETTRONICO. - 1:1(2024), pp. CJEMT-2305-1007.1-CJEMT-2305-1007.6.
A Model based on LCAO Theory to Evaluate the Dispersion Equation of Carbon Nanotubes
Roberto MaraniSoftware
;Anna Gina Perri
Conceptualization
2024-01-01
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
