Calculation of the charge-carrier mobility of polyguanylic acid: The simultaneous effect of stretching and twisting

F. B. Beleznay, F. Bogar, Zs Szekeres, J. Ladik

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Charge-carrier (electron and hole) mobilities of polyguanylic acid have been computed using the deformation-potential approximation from ab initio Hartree-Fock band structure. Mobilities resulting from electron scattering on torsional acoustic phonons are calculated and compared to those obtained from a previous calculation [F. B. Beleznay, J. Chem. Phys. 119, 5690 (2003)] considering interaction with compressional phonons. The simultaneous effect of the two independent scatterings is also calculated.

Original languageEnglish
JournalJournal of Chemical Physics
Volume124
Issue number7
DOIs
Publication statusPublished - Feb 28 2006

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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