Semi-Empirical Pseudopotential Method for Graphene and Graphene Nanoribbons

Semi-Empirical Pseudopotential Method for Graphene and Graphene Nanoribbons

We implemented a semi-empirical pseudopotential (SEP) method for calculating the band structures of graphene and graphene nanoribbons. The basis functions adopted are two-dimensional plane waves multiplied by several B-spline functions along the perpendicular direction. The SEP includes both local a...

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Bibliographic Details
Main Authors: Raj Kumar Paudel, Chung-Yuan Ren, Yia-Chung Chang
Format: Article
Language:English
Published: MDPI AG 2023-07-01
Series:Nanomaterials
Subjects:
semi-empirical pseudopotential (SEP)
graphene
graphene nanoribbon
armchair graphene nanoribbon (AGNRs)
density-functional theory (DFT)
band structure
Online Access:https://www.mdpi.com/2079-4991/13/14/2066

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