Electronic and optical properties of native point defects in CuInS${}_2$ and CuGaS${}_2$

Henry Phillip Fried, Daniel Barragan-Yani, Ludger Wirtz

We present a detailed study of common intrinsic defects in CuInS${}_2$ and CuGaS${}_2$ using the Heyd, Scuseria and Ernzerhof (HSE) hybrid functional scheme. The impact of the two HSE…