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Predictive modeling of low solubility semiconductor alloys

Garrett V. Rodriguez, Joanna M. Millunchick

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Source: Crossref

Published: Sep 28, 2016

DOI: 10.1063/1.4962849

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Source abstract

GaAsBi is of great interest for applications in high efficiency optoelectronic devices due to its highly tunable bandgap. However, the experimental growth of high Bi content films has proven difficult. Here, we model GaAsBi film growth using a kinetic Monte Carlo simulation that explicitly takes cation and anion reactions into account. The unique behavior of Bi droplets is explored, and a sharp decrease in Bi content upon Bi droplet formation is demonstrated. The high mobility of simulated Bi droplets on GaAsBi surfaces is shown to produce phase separated Ga-Bi droplets as well as depressions on the film surface. A phase diagram for a range of growth rates that predicts both Bi content and droplet formation is presented to guide the experimental growth of high Bi content GaAsBi films.

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Predictive modeling of low solubility semiconductor alloys — Mathematical Frontier Network