This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- NN_Potential_Ge-rich_GeTe.zip: DeePMD potential for Ge-rich GeTe
- Database.zip: The DFT database used to fit the NN potential consists of configurations of Ge, GeTe and Ge-rich GeTe (Ge2Te, Ge3Te and Ge9Te) divided into crystalline, amorphous, liquid and supercooled liquid phases. The configurations of Ge2Te are further divided into configurations in a 100-atom cell (Ge2Te_100), exotic high-energy configurations (Ge2Te_Ex and Ge2Te_Ex2) and a-Ge/a-GeTe interface configurations in a 300-atom cell (Ge2Te_Int) as described in the paper.
- video.zip: Videos of the crystallization process at 600 K and 500 K of Ge2Te and GeTe, of the phase separation process of Ge2Te at 600 K and of the annealing at 1200 K of the phase segregated and crystallized model of Ge2Te
- trajectories.zip: Trajectories files of the crystallization process at 600 K and 500 K of Ge2Te and GeTe and of the annealing at 1200 K of the phase segregated and crystallized model of Ge2Te