Volume 90, Number 4, May 2010
|Number of page(s)||6|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||08 June 2010|
Rhodium atoms confined in boron nitride nanotubes: Density functional calculations
Department of Physics, Qufu Normal University - Qufu, Shandong 273165, China
2 School of Physics and Electronic Engineering, Taishan University - Taian, Shandong 271021, China
3 School of Chemical Engineering, University of Queensland - Brisbane 4072, Australia
4 School of Physics, Shandong University - Jinan, Shandong 250100, China
Corresponding author: email@example.com
Accepted: 10 May 2010
Density functional calculations were performed to investigate the atomic and electronic structures of Rh-filled (n,0) boron nitride nanotubes (Rh@BNNTs) for n = 6, 7, and 8. Our results indicate that Rh atoms encapsulated in BNNTs self-aggregate to form ultrathin nanowires, of which the atomic arrangement depends on the tube diameter as well as the Rh content. The electronic structures of the Rh@BNNTs can be tuned from semiconducting to metallic by controlling the Rh content. The Rh@BNNTs are expected to serve as building blocks for the next generation of nanoscaled electronic devices.
PACS: 73.22.-f – Electronic structure of nanoscale materials and related systems / 61.46.-w – Structure of nanoscale materials
© EPLA, 2010
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