Transferable tight-binding model for strained group IV and III-V materials and heterostructures

It is critical to capture the effect due to strain and material interface for device level transistor modeling. We introduce a transferable $s{p}^{3}{d}^{5}{s}^{*}$ tight-binding model with nearest-neighbor interactions for arbitrarily strained group IV and III-V materials. The tight-binding model is parametrized with respect to hybrid functional (HSE06) calculations for varieties of strained systems. The tight-binding calculations of ultrasmall superlattices formed by group IV and group III-V materials show good agreement with the corresponding HSE06 calculations. The application of the tight-binding model to superlattices demonstrates that the transferable tight-binding model with nearest-neighbor interactions can be obtained for group IV and III-V materials.