Elham Mozafari | Linköping University (original) (raw)
Phone: 004613288950
Address: Department of Physics, Chemistry and Biology (IFM)
58183 Linköping
Sweden
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Papers by Elham Mozafari
A semi-empirical Peierls–Holstein model is applied to studies of the stability of polarons in two... more A semi-empirical Peierls–Holstein model is applied to studies of the stability of polarons in two-dimensional molecular crystal systems. Calculations for a broad range of intra- and inter-molecular parameters within this model were performed in order to obtain detailed knowledge concerning the stability of the polaron solution with respect to a rigid lattice band solution. For realistic values of the parameters the polaron solution is stable with a polaron energy in the range 50–100 meV. A metastable polaron solution is also identified. The polarons that result from our model are highly localized and it is questionable if adiabatic polaron transport can occur in the system.► Detailed studies of the stability of polarons within the Holstein–Peierls model. ► Range of parameters that are relevant for molecular crystals. ► The boundary between stable polarons and the band regime is identified. ► Two types of polaron solutions are found.
… , 2009. IEEE-NANO …, Jan 1, 2009
Making use of a generalized Green's function technique and Landauer formalism, the temperature de... more Making use of a generalized Green's function technique and Landauer formalism, the temperature depended current-voltage (I-V) characteristics of C 60 molecule, sandwiched between two metallic electrodes are numerically investigated. In addition, the influence of the electron-phonon coupling strength on the electronic properties of the molecule is studied. The I-V characteristics of the molecule are determined in two temperature limits, T=3K and T=300K. Our results indicate that the molecule primarily acts as a semiconductor in lower temperatures but moves toward becoming an ohmic-like conductor when the temperature increased to the higher magnitudes.
A semi-empirical Peierls–Holstein model is applied to studies of the stability of polarons in two... more A semi-empirical Peierls–Holstein model is applied to studies of the stability of polarons in two-dimensional molecular crystal systems. Calculations for a broad range of intra- and inter-molecular parameters within this model were performed in order to obtain detailed knowledge concerning the stability of the polaron solution with respect to a rigid lattice band solution. For realistic values of the parameters the polaron solution is stable with a polaron energy in the range 50–100 meV. A metastable polaron solution is also identified. The polarons that result from our model are highly localized and it is questionable if adiabatic polaron transport can occur in the system.► Detailed studies of the stability of polarons within the Holstein–Peierls model. ► Range of parameters that are relevant for molecular crystals. ► The boundary between stable polarons and the band regime is identified. ► Two types of polaron solutions are found.
… , 2009. IEEE-NANO …, Jan 1, 2009
Making use of a generalized Green's function technique and Landauer formalism, the temperature de... more Making use of a generalized Green's function technique and Landauer formalism, the temperature depended current-voltage (I-V) characteristics of C 60 molecule, sandwiched between two metallic electrodes are numerically investigated. In addition, the influence of the electron-phonon coupling strength on the electronic properties of the molecule is studied. The I-V characteristics of the molecule are determined in two temperature limits, T=3K and T=300K. Our results indicate that the molecule primarily acts as a semiconductor in lower temperatures but moves toward becoming an ohmic-like conductor when the temperature increased to the higher magnitudes.