Magnetic coupling and lattice dynamics in solidO2

Abstract
The properties of solid O2 are studied by means of an integrated lattice-dynamicsspin-wave approach which uses the random-phase approximation. This approach is based on a Hamiltonian from first principles, which includes the structural dependence of the spin coupling parameters. The calculated magnon and libron frequencies in α oxygen are in satisfactory agreement with experiment and the anomalously large libron splitting at the β-α phase transition is explained.