We study the dependence of optoelectronic properties on the structure in several hydrogen-passivated silicon nanoparticles: 1D arrays of Si29H36 quantum dots (QDs), both crystalline and amorphous, and, also, in   Si nanowire, and in an amorphous Si nanowire. Absorption, lifetimes of photoexcited states are calculated for various array configurations. To characterize electronic coupling and energy transfer between QDs in an array we calculate current response to spatially non-uniform electric field. Also, we calculate impact ionization (inverse Auger) bi-exciton generation rates in the Si29H36 QD from the first principles.In this work, electronic properties of nanoparticles are approximated by the simple single particle picture with quasi-particle energy levels and wave functions approximated by the Kohn-Sham energies and orbitals of the Density Functional Theory. We work to the leading order in the electromagnetic interaction strength. Electron-phonon interactions are approximately taken into account by giving quasi-particle energies finite widths.

Dynamics of photoexcitations in arrays of semiconductor quantum dots: Ab initio computation

244th National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.