Pseudopotential calculations of strained-GeSn/SiGeSn hetero-structures

We have obtained empirical pseudopotential parameters for α-Sn and employed the pseudopotential method along with the virtual crystal approximation to model GeSn and SiGeSn alloys. The calculated direct and indirect band gaps of GeSn and SiGeSn show good agreement with experimental data at 300 K available till date. The derived pseudopotential parameter set was used to extract various band structure quantities required to model band-to-band tunneling in simulating GeSn/SiGeSn hetero-junction Tunnel Field Effect Transistors (TFET). All the required band structure quantities have been extracted as a function of biaxial strain, Si content, and Sn content and have been fitted to a quadratic expression. An attempt to simulate Si0.5Ge0.5/Si hetero-junction TFETs based on the extracted band structure quantities yields ID − VG plots that are in good agreement with the experimental ones—an indication for the reliability of the extracted band structure quantities. Thus, the calculated pseudopotential and extracted band structure parameters provide a complete data base for the modeling of GeSn/SiGeSn hetero-junction TFETs.