Article ID Journal Published Year Pages File Type
1547117 Physica E: Low-dimensional Systems and Nanostructures 2008 4 Pages PDF
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 ωE2g=1366cm-1 peculiar to hexagonal h-BN, that allows us to interpret unambiguously the experimental spectra of BN-NTs. Most intensive and high-frequency whispering mode ωEng=880cm-1 is shown to be peculiar to armchair (n,n) SW-BN-NT.

Related Topics
Physical Sciences and Engineering Materials Science Electronic, Optical and Magnetic Materials
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