A Theoretical Study of Copper Contaminated Dislocations in Silicon

摘要

Recently, the interaction of copper with dislocations in p-type Si/SiGe/Si structures has been investigated experimentally and a new dislocation related DLTS-level at E_v + 0.32 eV was detected after intentional contamination with copper. To determine the origin of this newly detected level, in this work we present first density functional calculations of substitutional copper at 90° and 30° partial dislocations in silicon. Defect-dislocation binding energies are determined and electrical gap levels are calculated and compared with the experimental data. As a result, the observed level at E_v + 0.32 eV is tentatively assigned to the single acceptor level of substitutional copper at the dislocation.