Title of article
Ab-initio calculation of Raman spectra of single-walled BN nanotubes
Author/Authors
V. Pokropivny، نويسنده , , S. Kovrygin، نويسنده , , E. V. Gubanov، نويسنده , , R. Lohmus، نويسنده , , A. Lohmus، نويسنده , , U. Vesi، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2008
Pages
4
From page
2339
To page
2342
Abstract
Raman spectra of single-walled boron nitride (SW-BN) nanotubes (NTs) are calculated by the ab-initio Hartree–Fock (RHF) methods. Calibration procedure is proposed to fit calculated spectra to experimental frequency View the MathML source peculiar to hexagonal h-BN, that allows us to interpret unambiguously the experimental spectra of BN-NTs. Most intensive and high-frequency whispering mode View the MathML source is shown to be peculiar to armchair (n,n) SW-BN-NT.
Keywords
Ab initio , Nanotube , Raman spectra , BN , Boron nitride , Whispering mode
Journal title
Physica E Low-dimensional Systems and Nanostructures
Serial Year
2008
Journal title
Physica E Low-dimensional Systems and Nanostructures
Record number
1047365
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