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Abstract:
Using group theory calculations combined with the force-constant model and molecular-dynamics simulations, whether the deformed modes are Raman active or not for (10,10) and (10,0) single-wall carbon nanotubes under hydrostatic pressure is discussed. With increasing pressure, the tube symmetry lowers from D-20h to D-2h then to C-2h point group. For D-20h, A(1g) is changed to A(g), while E-1g and E-2g are split: E-1g -> B-2g + B-3g -> 2(Bg) and E-2g -> A(g) + B-1g -> 2A(g). On the basis of the correlation between D-20h, D-2h, and C-2h point groups, the deformed modes should be still Raman active. The result can help us clarify the essence of the experimental observations. (C) 2008 Elsevier B.V. All rights reserved.
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PHYSICA B-CONDENSED MATTER
ISSN: 0921-4526
Year: 2008
Issue: 18
Volume: 403
Page: 3009-3012
2 . 8 0 0
JCR@2022
ESI Discipline: PHYSICS;
JCR Journal Grade:3
Cited Count:
WoS CC Cited Count: 3
SCOPUS Cited Count: 4
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 2