A first principle study for the comparison of phonon dispersion of armchair carbon and silicon nanotubes

Journal Article · Fri May 15 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4915397· OSTI ID:22391718

Kumar, Arun ^[1]; Bharti, Ankush; Sharma, Raman ^[2]

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1. Department of Physics, Govt. College Banjar, Kullu, Himachal Pradesh, 175123 (India)
2. Department of Physics, Himachal Pradesh University, Shimla, Himachal Pradesh, India 171005 (India)

Using first principles density functional theoretical calculations, the present paper reports a systematic study of phonon dispersion curves in pristine carbon (CNT) and silicon nanotubes (SiNT) having chirality (6,6) in the armchair configuration. Some of the phonon modes are found to have negative frequencies which leads to instability of the systems under study. The number of phonon branches has been found to be thrice as much as the number of atoms. The frequency of the higher optical bands varies from 1690 to 1957 cm{sup −1} for CNT(6,6) while it is 596 to 658 cm{sup −1} for SiNT.

• OSTI ID: 22391718
• Journal Information: AIP Conference Proceedings, Vol. 1661, Issue 1; Conference: ICCMP 2014: International Conference on Condensed Matter Physics 2014, Shimla (India), 4-6 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
CARBON NANOTUBES
CHIRALITY
COMPARATIVE EVALUATIONS
DENSITY FUNCTIONAL METHOD
INSTABILITY
PHONONS
SILICON
VISIBLE SPECTRA