Phase diagram of graphene nanoribbons and band-gap bifurcation of Dirac fermions under quantum confinement

Citation data:

Physical Review B, ISSN: 1098-0121, Vol: 85, Issue: 19, Page: 195464-1

Publication Year:
2012
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Readers 14
Citations 11
Citation Indexes 11
Repository URL:
https://repository.hkbu.edu.hk/phys_ja/142
DOI:
10.1103/physrevb.85.195464
Author(s):
Sun, Yiyang, Ruan, W. Y., Gao, Xingfa, Bang, Junhyeok, Kim, Yong-Hyun, Lee, Kyuho, West, Damien, Liu, Xin, Chan, Tzu Liang Anthony, Chou, Mei-Yin, Zhang, S. B. Show More Hide
Publisher(s):
American Physical Society (APS), American Physical Society
Tags:
Materials Science, Physics and Astronomy
article description
A p-T phase diagram of graphene nanoribbons (GNRs) terminated by hydrogen atoms is established based on first-principles calculations, where the stable phase at standard conditions (25 °C and 1 bar) is found to be a zigzag GNR (zzGNR). The stability of this new GNR is understood based on an electron-counting model, which predicts semiconducting nonmagnetic zzGNRs. Quantum confinement of Dirac fermions in the stable zzGNRs is found to be qualitatively different from that in ordinary semiconductors. Bifurcation of the band gap is predicted to take place, leading to the formation of polymorphs with distinct band gaps but equal thermodynamic stability. A tight-binding model analysis reveals the role of edge symmetry on the band-gap bifurcation. © 2012 American Physical Society.

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