Reference : Optical absorption of hexagonal boron nitride and BN nanotubes
Scientific congresses, symposiums and conference proceedings : Paper published in a journal
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/10993/12486
Optical absorption of hexagonal boron nitride and BN nanotubes
English
Wirtz, Ludger mailto [Institut d'électronique de microélectronique et de nanotechnologie = Institute for Electronics, Microelectronics, and Nanotechnology - IEMN > ISEN]
Marini, A. [> >]
Rubio, A. [> >]
2005
AIP Conference Proceedings
American Institute of Physics
786
Electronic Properties of Novel Nanostructures
391-395
Yes (verified by ORBilu)
No
0094-243X
1551-7616
New York
NY
19th International Winterschool and Euroconference on Electronic Properties of Novel Materials
MAR 12-19, 2005
Kirchberg
Austria
[en] present calculations for the optical absorption spectra of hexagonal boron nitride (hBN) and BN nanotubes, using many-body perturbation theory. Solution of the Bethe-Salpeter equation for hBN leads to optical absorption and loss spectra where the positions and shapes of the peaks are strongly dominated by excitonic effects. The binding energy of the first exciton is about 0.71 eV. Comparison of the calculations with recently measured optical absorption and EELS demonstrates that DFT underestimates the "true" band gap of BN by 2.25 eV. This band gap difference can be partially (hot not completely) reproduced by a calculation of the quasi-particle band-structure on the level of the GW-approximation. We show, how the lower dimensionality of BN nanotubes leads to a much stronger excitonic binding energy and at the same time to a larger quasi-particle gap. This leaves the position of the first absorption peak almost unchanged. However, the difference in the series of excitonic peaks allows the spectroscopic distinction between BN nanotubes and bulk BN.
http://hdl.handle.net/10993/12486

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