@article{44aed5a06538491eb64a536e8d616f4c,
title = "Phase diagram of graphene nanoribbons and band-gap bifurcation of Dirac fermions under quantum confinement",
abstract = "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.",
author = "Sun, {Y. Y.} and Ruan, {W. Y.} and Xingfa Gao and Junhyeok Bang and Kim, {Yong Hyun} and Kyuho Lee and D. West and Xin Liu and CHAN, {Anthony T L} and Chou, {M. Y.} and Zhang, {S. B.}",
note = "W.Y.R. and M.Y.C. acknowledge support from the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Award No. DEFG02-97ER45632. The work at RPI was supported by the NSF (Grant No. DMR-1104994) and the DOE (Grant No. DE-SC0002623). X.G. was partially supported by the China MOST 973 program (Grant No. 2012CB934001). The supercomputer time was provided by NERSC under US DOE Grant No. DE-AC02-05CH11231 and CCNI at RPI. ",
year = "2012",
month = may,
day = "30",
doi = "10.1103/PhysRevB.85.195464",
language = "English",
volume = "85",
journal = "Physical Review B",
issn = "2469-9950",
publisher = "American Physical Society",
number = "19",
}