Laser-induced ultrafast spin-transfer processes in non-linear zigzag carbon chain systems

Abstract

We combine the high-level quantum chemistry theory CCSD and EOM-CCSD together with local and global Λ processes to investigate the details of the laser-induced ultrafast spin manipulation scenarios in non-linear zigzag carbon chain systems Ni₂@C₃₂H₃₂ and Ni₂@C₃₆H₃₆. The spin density distribution, which is calculated on each many-body state using a Mulliken population analysis, fulfills the requirements to accomplish the spin dynamics processes. Various spin-flip and spin-transfer scenarios are accomplished. All the spin-dynamics processes can be achieved within subpicosecond times. Under the influence of a magnetic field, we find that the spin-transfer scenarios are preserved, while the local spin-flip scenario on a Ni atom can be significantly inhibited depending on the strength of the magnetic field. The impact of the propagation direction of the laser pulse on the spin dynamics processes by varying their polar and azimuthal angles in spherical coordinates is investigated. Additionally, we find that double laser pulses successfully induce the spin-transfer processes. Our outcomes underline the significant potential of carbon chain systems as building blocks for developing future all-optical integrated logic processing units.