Inaugural US-EU-China Thermophysics Conference-Renewable Energy 2009 (UECTC 2009 Proceedings)
109 Temperature Dependence of Hot Carrier Relaxation in PBSE Quantum Dot: AN AB Initio Study
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Temperature dependent phonon-assisted hot carrier (including electron and hole) relaxation dynamics in PbSe quantum dot is studied within ab initio density functional theory. The electronic structure is first calculated, showing that the electronic states are denser than holes. Fourier transforms of the time resolved energy levels show that the hot carriers couple to both acoustic and optical phonons. At higher temperature, more phonon modes in the high frequency range participate in the relaxation process due to their increased occupation number. The phonon-assisted hot carrier decay dynamics is predicted using non-adiabatic molecular dynamics, and the calculated relaxation rates clearly shows a...