Abstract
We construct an effective spin Hamiltonian for YMnO through analysis of first-principles density-functional theory results. Using our first-principles-derived spin Hamiltonian we calculate the magnon dispersion of this compound and compare with the experimentally measured spectra probed using inelastic neutron scattering. Our first-principles-derived set of magnetic interaction parameters show the importance of the Mn1-Mn2 interaction along the axis, which was ignored in the literature. We provide justification in favor of our first-principles-derived parameters.
- Received 9 March 2011
DOI:https://doi.org/10.1103/PhysRevB.84.054444
©2011 American Physical Society