TY - JOUR
T1 - Metallic edges in zinc oxide nanoribbons
AU - Botello-Méndez, A. R.
AU - Martínez-Martínez, M. T.
AU - López-Urías, F.
AU - Terrones, M.
AU - Terrones, H.
N1 - Funding Information:
The authors are grateful to D. Ramírez, G. Ramírez, and G. Pérez for technical assistance. This work was supported in part by CONACYT-México Grants: 56787 (Laboratory for Nanoscience and Nanotechnology Research-LINAN), 45762 (HT), 45772 (MT), 41464-Inter American Collaboration (MT), 42428- Inter American Collaboration (HT), 2004-01-013/SALUD-CONACYT (MT), PUE-2004-CO29 Fondo Mixto de Puebla (MT) and PhD. Scholarships (ARBM and MTMM).
Copyright:
Copyright 2008 Elsevier B.V., All rights reserved.
PY - 2007/11/14
Y1 - 2007/11/14
N2 - First principles calculations of zinc oxide nanoribbons are investigated for zigzag and armchair terminated edges. We present the effects of the atomic relaxation on the shape of the nanoribbons. The electronic properties of the nanoribbons as a function of width and thickness are studied systematically. We found that the stability of armchair edge structures is greater than the zigzag edge configurations. Our results indicate that single layered armchair ribbons are semiconductors, whereas the zigzag counterparts are metallic. However, the electronic behavior changes considerably when the thickness of the ribbon is increased.
AB - First principles calculations of zinc oxide nanoribbons are investigated for zigzag and armchair terminated edges. We present the effects of the atomic relaxation on the shape of the nanoribbons. The electronic properties of the nanoribbons as a function of width and thickness are studied systematically. We found that the stability of armchair edge structures is greater than the zigzag edge configurations. Our results indicate that single layered armchair ribbons are semiconductors, whereas the zigzag counterparts are metallic. However, the electronic behavior changes considerably when the thickness of the ribbon is increased.
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U2 - 10.1016/j.cplett.2007.10.023
DO - 10.1016/j.cplett.2007.10.023
M3 - Article
AN - SCOPUS:35649000472
VL - 448
SP - 258
EP - 263
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-6
ER -