Electronic structure calculations of materials for efficient light emitters

Emmanouil Kioupakis
University of Michigan

Predictive calculations can greatly accelerate the discovery and development of new materials with desirable properties for energy applications. In this talk, I will present results of first-principles calculations based on density functional and many-body perturbation theory for the study of quantum processes in materials for light emitters. I will discuss the role of phonon-assisted Auger recombination in the performance of nitride light-emiting diodes, and how the efficiency can be improved using nitride nanostructures. Our predictive results can aid the development of efficient materials for solid-state lighting applications.This work was supported as part of CSTEC, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

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