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• W2034386672 endingPage "11931" @default.
• W2034386672 startingPage "11928" @default.
• W2034386672 abstract "Localized modes of lattice vibration in polythiophene are investigated numerically by considering a chain of finite length. With the periodic boundary condition, we find three even-parity and four odd-parity modes. One of the even modes due to the sulfur heteroatom in the heterocycle is believed to be responsible for what is observed around 700 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$ in the Raman spectrum of polythiophene. With the free-end boundary condition, several modes from the highest optical branch become localized near the surface. These modes may be identified as the high-frequency modes observed in infrared-active vibration and resonant-Raman-scattering absorption experiments." @default.
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• W2034386672 date "1995-05-01" @default.
• W2034386672 modified "2023-10-17" @default.
• W2034386672 title "Localized vibrational modes around bipolarons in polythiophene" @default.
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• W2034386672 doi "https://doi.org/10.1103/physrevb.51.11928" @default.
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