Electronic structure of the Er-O6 complex in silicon

The energy diagram of the Er-O₆ complex in silicon is calculated. The square amplitudes of the wave functions of the complex on the erbium atom are determined. The results of our calculations show that the Er-O₆ complex is an acceptor in silicon. In addition, it is possible that the electron trap energy level is located in the energy gap of silicon. On the whole, the results of our calculations correspond to the Er-O quantum dot model proposed previously. Fiz. Tekh. Poluprovodn. 31, 1037–1044 (September 1997)