Electronic structures of capped carbon nanotubes under electric fields

Cited 107 time in webofscience Cited 129 time in scopus
  • Hit : 246
  • Download : 0
We have investigated the electronic structure of capped carbon nanotubes under electric fields by density functional calculations. The calculated effective work function of the capped armchair nanotubes decreases linearly with increasing electric fields, whereas that of the metal tip decreases quadratically. We analyzed the density of states, highest occupied molecular orbitals (HOMO's) and lowest unoccupied molecular orbitals (LUMO's) for various charged states under electric fields. While the HOMO and the LUMO are not localized at the cap for a neutral state, the HOMO and LUMO of a negatively charged state are localized at the cap, particularly under electric fields. This localization plays an important role in the field emission. The Mulliken charge population shows that the charge accumulation is not dependent on the local atomic geometry but on the sharpness of the tip.
Publisher
AMERICAN PHYSICAL SOC
Issue Date
2002
Language
English
Article Type
Article
Keywords

POLYATOMIC-MOLECULES; LOCALIZED STATES; EMISSION; TIPS; SPECTROSCOPY; EMITTERS

Citation

PHYSICAL REVIEW B, v.65, no.16

ISSN
1098-0121
DOI
10.1103/PhysRevB.65.165418
URI
http://hdl.handle.net/10203/83400
Appears in Collection
CH-Journal Papers(저널논문)
Files in This Item
There are no files associated with this item.
This item is cited by other documents in WoS
⊙ Detail Information in WoSⓡ Click to see webofscience_button
⊙ Cited 107 items in WoS Click to see citing articles in records_button

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0