Electronic structure of helium-trapped vacancy in aluminum using multiple scattering Xα method

The self-consistent multiple scattering X_α (MSX _α) method is used to arrive at the electronic structure of a helium-trapped vacancy in aluminum using a cluster model. The calculated orbital energies, electron density, and charge distributions are compared with the available theoretical results. It is shown that helium trapping causes the reshuffling and upward movement of the cluster levels (with vacancy).