[en] We present ab initio and self-consistent tight-binding calculations on the band structure of single wall semiconducting carbon nanotubes with high degrees (up to 25 %) of boron substitution. Besides a lowering of the Fermi energy into the valence band, a regular, periodic distribution of the p-dopants leads to the formation of a dispersive "acceptor"-like band in the band gap of the undoped tube. This comes from the superposition of acceptor levels at the boron atoms with the delocalized carbon pi-orbitals. Irregular (random) boron-doping leads to a high concentration of hybrids of acceptor and unoccupied carbon states above the Fermi edge.
Disciplines :
Physics
Author, co-author :
WIRTZ, Ludger ; University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Rubio, A.
Language :
English
Title :
Band structure of boron doped carbon nanotubes
Publication date :
2003
Event name :
17th International Winterschool/Euroconference on Electronic Properties of Novel Materials
Event date :
8 - 15 March 2003
By request :
Yes
Audience :
International
Journal title :
AIP Conference Proceedings
ISSN :
0094-243X
eISSN :
1551-7616
Publisher :
American Institute of Physics, New York, United States - New York
Special issue title :
MOLECULAR NANOSTRUCTURES
Volume :
685
Pages :
402-405
Peer reviewed :
Peer Reviewed verified by ORBi
Commentary :
0-7354-0154-3
MAR 08-15, 2003
17th International Winterschool/Euroconference on Electronic Properties of Novel Materials
Kirchberg
AUSTRIA
Kuzmany, H Fink, J Mehring, M Roth, S
Univ Wein, Inst Mat, Bruker, Analytis Mebtech GmbH, Credit Anstalt BankVerein, Electrovac GmbH, Jobin Yvon GmbH, Nanocyl SA, Omicron Vakuumphys GmbH