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Description
Rafael Jaramillo1

1, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States

Ternary sulfides and selenides in the distorted-perovskite structure (“chalcogenide perovskites”) are predicted by theory to be semiconductors with band gap in the visible-to-infrared and may be useful for optical, electronic, and energy conversion technologies. Here we use computational thermodynamics to predict the pressure-temperature phase diagrams for select chalcogenide perovskites. We highlight the windows of thermodynamic equilibrium between solid chalcogenide perovskites and the vapor phase at high temperature and very low pressure. These results can guide adsorption-limited growth of ternary chalcogenides by molecular beam epitaxy (MBE).

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