posted on 2025-08-27, 12:09authored bySapta Sindhu Paul Chowdhury, Sourav Thapliyal, Bheema Chittari, Santosh Mogurampelly
The supporting material contains (S1) Optimization of DFT parameters, (S2) equilibration of the Gr/Ge heterostructure in the NPT ensemble, (S3) relaxation of the Gr/Ge heterostructure in the NVE ensemble, (S4) exponential fit to relaxation of the Gr/Ge heterostructure, and (S5) the relative maximum phonon frequency percentage with external strain.