Abstract
The neutron filter efficiency of MgF2 and BeF2 has been investigated as a function of neutron incident energy at different temperatures, starting from the phonon density of states (PDOS) calculated using first-principles techniques, and the results are compared with those of MgO and BeO. Recently, MgF2 has been suggested as a neutron filter and neutron transmission through it has been experimentally studied. For MgF2, excellent agreement between calculated and available experimental data has been achieved for the phonon dispersion relations, constant-volume specific heat, inelastic scattering cross sections and neutron transmission. The PDOSs of MgF2 and BeF2 are found to differ significantly owing to the crystal structure and the cations' mass difference. The inelastic scattering cross sections and filter efficiencies of MgF2 and BeF2 show different behaviours, which can be understood to originate from the above PDOS incongruity and the large difference in absorption cross sections of Be and Mg nuclei. BeF2 is predicted to be a better neutron filter than MgF2 and MgO, over the temperature range of interest, while it has less ability than BeO to transmit low-energy neutrons.
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