Magnetic excitation spectra in BaFe2As2: a two-particle approach within a combination of the density functional theory and the dynamical mean-field theory method.
We study the magnetic excitation spectra in the paramagnetic state of BaFe(2)As(2) from the ab initio perspective. Both the one-particle and the magnetic two-particle excitation spectra are determined within the combination of the density functional theory and the dynamical mean-field theory method. This method reproduces all the experimentally observed features in inelastic neutron scattering and relates them to both the one-particle excitations and the collective modes. The magnetic excitation dispersion is well accounted for by our theoretical calculation in the paramagnetic state without any broken symmetry; hence, nematic order is not needed to explain the inelastic neutron scattering experimental data.
Department of Physics, Rutgers University, Piscataway, New Jersey 08854, USA.
Hyowon
H
Park
Kristjan
K
Haule
Gabriel
G
Kotliar