A Theoretical Study of Copper Contaminated Dislocations in Silicon
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 Ev +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 Ev + 0.32 eV is tentatively assigned to the single acceptor level of substitutional copper at the dislocation.
A. Cavallini, H. Richter, M. Kittler and S. Pizzini
N. Fujita et al., "A Theoretical Study of Copper Contaminated Dislocations in Silicon", Solid State Phenomena, Vols. 131-133, pp. 259-264, 2008