Electronic Band Structure of a Single-Walled Carbon Nanotube by the Zone-Folding Method

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This Demonstration calculates and plots the tight-binding (TB) electronic band structure of a single-walled carbon nanotube (SWNT) of any chirality according to the zone-folding (ZF) method introduced by Saito and Dresselhaus (neglect of curvature effects valid for large diameter tubes). The chiral indices
are pairs of integers that specify uniquely the geometry of the SWNT (diameter
, chiral angle, length of the unit cell along the tube axis
, number of graphene unit cells inside the SWNT unit cell, etc.).
Contributed by: Jessica Alfonsi (University of Padova, Italy) (March 2011)
Open content licensed under CC BY-NC-SA
Snapshots
Details
Snapshot 1: Brillouin zone of a metallic zigzag SWNT:
Snapshot 2: electronic structure of a metallic zigzag SWNT:
Snapshot 3: Brillouin zone of a semiconducting zigzag SWNT:
Snapshot 4: electronic structure of a semiconducting zigzag SWNT:
Snapshot 5: electronic structure of an armchair SWNT (always metallic):
Snapshot 6: Brillouin zone of a semiconducting chiral SWNT:
Snapshot 7: electronic structure of a semiconducting chiral SWNT:
R. Saito, G. Dresselhaus, and M. S. Dresselhaus, Physical Properties of Carbon Nanotubes, London: Imperial College Press, 1998.
J. Alfonsi, Small Crystal Models for the Electronic Properties of Carbon Nanotubes, Ph.D. thesis, University of Padova, 2009, Chapters 2, 3, and references therein.
Permanent Citation