Graphitic ribbons without hydrogen-termination: Electronic structures and stabilities

Authors
Kawai, T Miyamoto, Y Sugino, O Koga, Y
Citation
T. Kawai et al., Graphitic ribbons without hydrogen-termination: Electronic structures and stabilities, PHYS REV B, 62(24), 2000, pp. R16349-R16352
Citations number
25
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
62
Issue
24
Year of publication
2000
Pages
R16349 - R16352
Database
ISI
SICI code
0163-1829(200012)62:24<R16349:GRWHES>2.0.ZU;2-I
Abstract
The graphitic ribbons with H termination have been the subject of recent st udies; but we investigated the ribbons without H termination using tight-bi nding and first-principles calculations. The ribbons with armchair edge wer e found to have phonon frequencies near 2000 cm(-1) which has been solely a scribed to the one-dimensional carbon allotrope, carbyne. Comparative studi es of the formation energies suggest that ribbons will grow more easily in the direction perpendicular to the zigzag edge, consistent with a recent ex periment.