Origins of midgap states in Te-based Ovonic threshold switch materials

The non-linear threshold-type current-voltage behavior that characterizes selector devices for three-dimensional (3D) crossbar-type nonvolatile memory devices relies upon a phenomenon known as Ovonic threshold switching (OTS). Because current practical OTS materials are based on toxic elements, such as Se and As, Te-based OTS materials are expected to offer a more environmentally friendly option. However, the electronic structure that determines the OTS behavior of Te-based OTS materials is not well understood. In this paper, the electronic structure of amorphous Si _0.29Te _0.71 , has been explored using hard X-ray photoelectron spectroscopy (HAXPES) in conjunction with density functional theory (DFT) calculations. The HAXPES results show that the Si _0.29Te _0.71 amorphous network of the simulated amorphous structure is based upon Te-Te, Te-Si, and Si-Si bonding. DFT calculations revealed that Si3p and Te5p states contribute to bonding, whereas occupied non-bonding Te5p states form the top of the valence state. A projected local density of states analysis shows that the Si site forms conduction-tail states, whereas the Te site forms both conduction- and valence-tail states. Furthermore, Te-Te dimers contribute significantly to the midgap states that characterize the OTS behavior. Finally, the valence-tail state extension within the mobility gap of Si _0.29Te _0.71 was experimentally demonstrated.