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Ab initio spinor Kadanoff-Baym approach to nonequilibrium electron, phonon, and magnon dynamics in itinerant ferromagnets

Giovanni Marini

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Phys. Rev. B 114, 214429 – Published 26 October, 2026

DOI: https://doi.org/10.1103/7bgl-6lpb

Abstract

This work introduces a theoretical framework based on the Kadanoff-Baym equations in spinor space to study ultrafast magnetization dynamics in itinerant ferromagnetic systems from first principles. By incorporating spin-orbit coupling into the ab initio Hamiltonian and generalizing the self-energies to include terms beyond the charge sector, I derive scattering integrals within the Markov approximation and quasiparticle renormalizations for electrons and phonons in the presence of spin-dependent effective interactions within a many-body perturbation theory approach. I explicitly discuss how magnons emerge in this framework, and derive, through suitable approximations, a closed and tractable set of equations for coupled electron, phonon, and magnon dynamics that can be solved from first principles. I discuss the equations of motion within a minimal ferromagnetic model, where the coupled equations are solved numerically. This approach allows one to treat coherent and incoherent magnetic dynamics on an equal footing, paving the way for a first-principles understanding of ultrafast magnetic dynamics and demagnetization, and opening the door to a truly predictive theory of femtomagnetism in periodic systems.

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Phys. Rev. B 114, 214429– Published 26 October, 2026
  • Received 29 May 2026
  • Revised 19 August 2026
  • Accepted 5 October 2026
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