Interface dependence of band offsets in lattice-matched isovalent heterojunctions

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Abstract
Using a previously developed self-consistent dipole theory, we find that the interface dependence of band offsets for lattice-matched isovalent heterojunction is generally small. Specifically, we find the difference between the (001) and (110) band offsets for the common-anion heterojunctions AlP/GaP, AlAs/GaAs, AlSb/GaSb, and CdTe/HgTe to be, at most, 0.02 eV. An investigation of the various details in the calculations leads to an error estimate of ±0.03 eV. We thus consider the differences to be insignificant. For the non-common-anion systems, we also study the difference between two different bonding configurations of the (001) interface. Although the differences between the various interfaces are found to be slightly larger than for the common-anion cases, the only significant difference is found to occur between the In-Sb and Ga-As (001) interfaces, where it is 0.1 eV. In this case, the (110) band offset lies midway between the two. Comparisons are made with the available calculations and with experimental data.