Dynamic radial distribution function from inelastic neutron scattering

A real-space, local dynamic structure function g(r,ω) is defined from the dynamic structure function S(Q,ω), which can be measured using inelastic neutron scattering. At any particular frequency ω, S(Q,ω) contains Q-dependent intensity oscillations which reflect the spatial distribution and relative displacement directions for the atoms vibrating at that frequency. Information about local and dynamic atomic correlations is obtained from the Fourier transform of these oscillations g(r,ω) at the particular frequency. g(r,ω) can be formulated such that the elastic and frequency-summed limits correspond to the average and instantaneous radial distribution function, respectively, and is thus called the dynamic radial distribution function. As an example, the dynamic radial distribution function is calculated for fcc nickel in a model which considers only the harmonic atomic displacements due to phonons. The results of these calculations demonstrate that the magnitude of the atomic correlations can be quantified and g(r,ω) is a well-defined correlation function. This leads to a simple prescription for investigating local lattice dynamics.