Stacking and Optical Properties of Layered In 2Se 3

Abstract
Electronic structures and optical properties of layered In2Se3 with various stackings have been studied using ab initio calculation. It is found that since the dangling-bond states of layer-edge Se atoms appear at the top of the valence band, the absorption around the fundamental band gap becomes large for light polarization along the layer direction. This property is common to all stackings and explains well the results of a recent experiment.