Figure 5: Modelling the ageing process.
From: Topological transport and atomic tunnelling–clustering dynamics for aged Cu-doped Bi2Te3 crystals
The atomic dynamics of Cu atoms from calculations. The four images illustrate the formation energies of Cu3 clusters inside QLs, individual Cu inside QLs (position I), individual Cu between QLs (in gap, position II) and Cu3 clusters between QLs (in gap). In each image, the top part is the side view, and the bottom greyer part is the top view. The formation energies are marked on the top. There is a transient state whereby the Cu atom is set on the QL interfaces that produces a 0.57-eV barrier separating the Cu atoms in the two states.
