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Updated: May 14, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Energy-gap opening in a Bi110 nanoribbon induced by edge reconstruction
Jia-Tao Sun1, Han Huang, Swee Liang Wong
1Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543, Singapore.
Abstract:
Scanning tunnelling microscopy and spectroscopy experiments complemented by first-principles calculations have been conducted to study the electronic structure of 4 monolayer Bi(110) nanoribbons on epitaxial graphene on silicon carbide [4H-SiC(0001)]. In contrast with the semimetal property of elemental bismuth, an energy gap of 0.4 eV is measured at the centre of the Bi(110) nanoribbons. Edge reconstructions, which can facilitate the edge strain energy release, are found to be responsible for the band gap opening. The calculated density of states around the Fermi level are decreased quickly to zero from the terrace edge to the middle of a Bi(110) nanoribbon potentially signifying a spatial metal-to-semiconductor transition. This study opens new avenues for room-temperature bismuth nanoribbon-based electronic devices.
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