Low energy structural dynamics and constrained libration of Li(NH_3)_4, the lowest melting point metal

摘要

The lattice and molecular dynamics for the solid phases of the lowest melting-point metal, Li(NH_3)_4, are determined by incoherent inelastic neutron scattering. Measurements of internal molecular displacements and distortions of the Li(NH_3)_4 units have been modelled and assigned using density functional theory calculations for the solid and molecular system. Inelastic neutron scattering measurement allow for the first determination of NH_3 librational transitions.