Simon Streib

Apr 12, 2024 | link.aps.org | Ramon Cardias |Instituto de Física |Universidade Federal Fluminense |Simon Streib

We developed a method which performs the coupled adiabatic spin and lattice dynamics based on the tight-binding electronic structure model, where the intrinsic magnetic field and ionic forces are calculated from the converged self-consistent electronic structure at every time step. By doing so, this method allows us to explore limits where the physics described by a parameterized spin-lattice Hamiltonian is no longer accurate.