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Frequency-Dependent Polarizability of Boron Nitride Nanotubes: A Theoretical Study

✍ Scribed by Kongsted, Jacob; Osted, Anders; Jensen, Lasse; Åstrand, Per-Olof; Mikkelsen, Kurt V.

Book ID
118217381
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
69 KB
Volume
105
Category
Article
ISSN
0022-3654

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Density functional theory (DFT) calculations were performed to investigate the properties of borondoped (B-doped) models of representative (4, 4) armchair and (6, 0) zigzag aluminum phosphide nanotubes (AlPNTs). Chemical shielding (CS) parameters were also calculated for the optimized structures. Th