Electron transfer through long distances in DNA, as well as the effects of spin polarization produced by this molecule, have been explained in the literature through tight binding models, DFT, and molecular dynamics, among others. In these models, the electron transfer (ET) processes are presented as a product of hopping between atomic orbitals, however, there is still a debate about the mechanisms. One of the most relevant factors in the ET is the interaction with the lattice vibrations, which is the electron-phonon interaction. It has been found that in DNA optical phonons dominate over the acoustical ones and that this results in long wavelength polarons. Regarding the spin-phonon interaction, it is important because phonons may produce spin relaxation mechanisms, which would limit the coherence times, one of the main concerns of quantum computation. In this presentation we address both the electron-phonon and the spin-phonon interaction, by using an analytical tight binding model under the envelope function approximation. This model allows us to analyze the role of these two interactions in the ET and in the chirality induced spin selectivity (CISS effect) observed in DNA and in other chiral molecules, an effect that is extremely important in the field of molecular spintronics.
Electron transfer through long distances in DNA, as well as the effects of spin polarization produced by this molecule, have been explained in the literature through tight binding models, DFT, and molecular dynamics, among others. In these models, the electron transfer (ET) processes are presented as a product of hopping between atomic orbitals, however, there is still a debate about the mechanisms. One of the most relevant factors in the ET is the interaction with the lattice vibrations, which is the electron-phonon interaction. It has been found that in DNA optical phonons dominate over the acoustical ones and that this results in long wavelength polarons. Regarding the spin-phonon interaction, it is important because phonons may produce spin relaxation mechanisms, which would limit the coherence times, one of the main concerns of quantum computation. In this presentation we address both the electron-phonon and the spin-phonon interaction, by using an analytical tight binding model under the envelope function approximation. This model allows us to analyze the role of these two interactions in the ET and in the chirality induced spin selectivity (CISS effect) observed in DNA and in other chiral molecules, an effect that is extremely important in the field of molecular spintronics.