期刊
APPLIED PHYSICS LETTERS
卷 95, 期 5, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3196317
关键词
ab initio calculations; carbon nanotubes; density functional theory; elemental semiconductors; photoexcitation; wave functions
资金
- National Natural Science Foundation of China [10676025]
- Research Organization of Information Science and Technology at the Tokyo Office
Modulation of an alternating electric field (E-field) inside semiconducting carbon nanotubes (CNTs) has been studied with polarization perpendicular to the tube axis. The real-time dynamics of the electron wave functions and atoms in the CNTs was investigated by applying first-principles time-dependent density functional theory. The E-field inside the CNTs was not screened completely and was actually enhanced depending on the frequency. The enhancement was due to the increasing amplitude of the oscillating electron cloud with the resonant frequency. This finding provides a clear insight into the optical response of CNTs and also of molecules encapsulated in CNTs.
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