n=1 surface excitons and LO-TO splittings of bulk excitons in solid rare gases

Abstract

The energies of the n=1 surface excitons in solid rare gases have been calculated by an extension of the standard exciton model for weakly bound molecular crystals. For neon, the repulsive interactions were deduced from ab initio potential curves of excited states, whereas for argon, krypton, and xenon they were deduced from experimental values for bulk excitons or gas-phase dimer excited potential curves. Good agreement with experimental results is obtained for all rare gases. Calculations of LO-TO splittings are also presented.