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Báo cáo hóa học: " Symmetry Properties of Single-Walled BC2N Nanotubes"

Tuyển tập báo cáo các nghiên cứu khoa học quốc tế ngành hóa học dành cho các bạn yêu hóa học tham khảo đề tài: Symmetry Properties of Single-Walled BC2N Nanotubes | Nanoscale Res Lett 2009 4 498-502 DOI 10.1007 S11671-009-9272-3 NANO EXPRESS Symmetry Properties of Single-Walled BC2N Nanotubes Hui Pan Yuan Ping Feng Jianyi Lin Received 30 September 2008 Accepted 6 February 2009 Published online 24 February 2009 to the authors 2009 Abstract The symmetry properties of the single-walled BC2N nanotubes were investigated. All the BC2N nanotubes possess nonsymmorphic line groups. In contrast with the carbon and boron nitride nanotubes armchair and zigzag BC2N nanotubes belong to different line groups depending on the index n even or odd and the vector chosen. The number of Raman- active phonon modes is almost twice that of the infrared-active phonon modes for all kinds of BC2N nanotubes. Keywords BC2N nanotubes Symmetry Group theory Introduction Carbon nanotubes have been extensively studied because of their interesting physical properties and potential applications. Motivated by this success scientists have been exploring nanotubes and nanostructures made of different materials. In particular boron carbon nitride BxCyNz nanotubes have been synthesized 1 2 . Theoretical studies have also been carried out to investigate the electronic optical and elastic properties of BC2N H. Pan Y. P. Feng Department of Physics National University of Singapore 2 Science Drive 2 117542 Singapore Singapore H. Pan H Environmental Science Division Oak Ridge National Laboratory 37831 Oak Ridge TN USA e-mail panh1@ornl.gov J. Lin Institute of Chemical and Engineering Sciences 1 Pesek Road 627833 Jurong Island Singapore nanotubes using the first-principles and tight-binding methods respectively 3-6 . Besides the elastic and electronic properties theoretical and experimental research on phonon properties of BC2N nanotubes is also useful in understanding the properties of the nanotubes. For example the electron-phonon interaction is expected to play crucial roles in normal and superconducting transition. Furthermore symmetry properties of nanotubes have .