Therefore, if periodic interface models with a small number of layers are used to calculate electrostatic potential corrections, care should be taken to include and relax a sufficient number of layers around the interface. In our case, the main drawback of approaches that avoid direct simulations of large interface models is that they cannot be used to assess the effectiveness of a tunnel barrier, which is the goal of this work. principles studies, which reported VBOs of 0.5-0.9 eV and CBOs of 1.0-1.4 eV. Prior to relaxation, we obtained a type-II band alignment, but with a VBO of 0.15 eV and a CBO of 0.85 eV, as shown in the SI. All the experimental band offset data available are for ZnTe/CdSe interfaces with a (001) orientation. Typically, only the VBO is measured directly and the CBO is deduced based on the bulk band gaps of the two materials. Yu et. al.