Dopant effects on the photoluminescence of interstitial-related centers in ion implanted silicon
This work is supported by a grant from the Australian 
Research Council. B.C.J. is partially supported by the Japan 
Society for the Promotion of Science (JSPS) (Grant-in-aid 
for Scientific Research, 22.00802).
Insights on the atomistic origin of X and W photoluminescence lines in c-Si from ab initio simulations
We have used atomistic simulations to identify and characterize interstitial defect cluster configurations candidate for W and X photoluminescence centers in crystalline Si. The configurational landscape of small self-interstitial defect clusters has been explored through nanosecond annealing and implantation recoil simulations using classical molecular dynamics. Among the large collection of defect configurations obtained, we have selected those defects with the trigonal symmetry of the W center, and the tetrahedral and tetragonal symmetry of the X center. These defect configurations have been characterized using ab initio simulations in terms of their donor levels, their local vibrational modes, the defect induced modifications of the electronic band structure, and the transition amplitudes at band edges. We have found that the so-called I3-V is the most likely candidate for the W PL center. It has a donor level and local vibrational modes in better agreement with experiments, a lower formation energy, and stronger transition amplitudes than the so-called I3-I, which was previously proposed as the W center. With respect to defect candidates for the X PL center, our calculations have shown that none of the analyzed defect candidates match all of the experimental characteristics of the X center. Although the Arai tetra-interstitial configuration previously proposed as the X center cannot be excluded, the other defect candidates for the X center found, I3-C and I3-X, cannot be discarded either.
Modelling environmental impacts of marine finfish aquaculture
Summary Our understanding of the interactions between fish farms and the environment has reached the stage where it is reasonable to expect that quantitative estimates of the possible environmental consequences of aquaculture development can be provided for regulatory and mitigation purposes. This paper summarizes recent developments in this area and provides several case histories of areas where theoretical analyses appear to have direct practical relevance. Fish wastes