Phonon Scattering and Electron Transport in Single Wall Carbon Nanotube

We present the simulation results to discuss the acoustic phonon scattering effect on the charge carrier mobility

Bo Xu; Jiang Yin; Zhiguo Liu


Scholarcy highlights

  • Single-walled carbon nanotube can be thought of as graphene a single graphene sheet wrapped up to form a one-atom-thick cylinders
  • Al‐ though all of these quantities in Eq are obtained from the first-principles calcu‐ lations, it is a simple view of the full Boltzmann transport equation, and this method have been previously applied in the study of the graphene nanoribbons and the functionalized CNTs .In this simple approximation, we could find that the intrin‐ sic carrier mobility scattered by the longitudinal acoustic phonons varies with the tem‐ perature approximately as T -1/2, not the empirical relation T -1 by the experimental captured, which is the combined result of other scattering mechanisms
  • To understand the alternating behavior of DP constant, we examine the frontier molecular orbitals at the Γ-point, i.e., the highest occupied molecular orbital for the hole and the lowest unoccupied molecular orbital for electron, see Figure 10, For n = 7, it is found that the bonding direction of HOMO is perpendicular to the longitudinal direction and it is of anti-bonding character along the transport direction
  • The carrier mobility of the semiconducting zigzag SWCNT scattered from the acoustic pho‐ nons is investigated by using first-principles calculations
  • We considered only the longitudi‐ nal acoustic phonon scattering process by using the deformation-potential theory
  • We found that the intrinsic carrier mobility can reach 106 cm2/Vs at room temperature for n=20, and the intriguing alternating behaviors of the carrier mobilities of the semiconducting zigzag SWCNTs are due to the curvature effects of the CNT
  • We believe that the detailed investiga‐ tion of acoustic phonon scattering in CNTs will help us to study the carrier mobili‐ ties in other organic or inorganic materials by using the similar technique

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