Self-interstitial in germanium

Phys Rev Lett. 2007 Oct 26;99(17):175502. doi: 10.1103/PhysRevLett.99.175502. Epub 2007 Oct 26.

Abstract

Low-temperature radiation damage in n- and p-type Ge is strikingly different, reflecting the charge-dependent properties of vacancies and self-interstitials. We find, using density functional theory, that in Ge the interstitial is bistable, preferring a split configuration when neutral and an open cage configuration when positively charged. The split configuration is inert while the cage configuration acts as a double donor. We evaluate the migration energies of the defects and show that the theory is able to explain the principal results of low-temperature electron-irradiation experiments.