Phonon-mediated relaxation in nanomaterials from combining Density Functional Theory based non-adiabatic molecular dynamics with Kadanoff-Baym-Keldysh technique

Hadassah Griffin, Andrei Kryjevski

Boltzmann transport equation (BE) is a potent approach to dynamics of a photoexcited (nano)material. BE collision integrals for different relaxation channels can be systematically…