The Structural and Electronic Properties of the Zigzag GaN Nanoribbons: A First-Principles Study

Abstract:

We have performed the first-principles calculations onto the structural and electronic properties of GaN nanoribbons with zigzag edge (ZGaNNRs). The results show that, the lowest unoccupied conduction band (LUCB) and the highest occupied valence band (HOVB) are always separated, representing a semiconductor character for the ZGaNNRs. In addition, the majority and minority spin bands are fully superposition and therefore the ZGaNNRs are non-magnetic. As the nanoribbons width increase, band gaps of ZGaNNRs decrease monotonically and become close to their asymptotic limit of a single layer of GaN sheet. It is found that the fewer coordination number will lead the most electrons to range in higher energy region of the occupancy state.

• Periodical: Advanced Materials Research (Volume 700)
• Pages: 79-82
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.700.79
• Online since: May 2013
• Authors: Guo Xiang Chen, Dou Dou Wang
• Keywords: Electronic Property, First-Principle, GaN Nanoribbons, Structure

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