Lattice Instability during Solid-Solid Structural Transformations under a General Applied Stress Tensor: Example of Si I→Si II with Metallization.

The density functional theory was employed to study the stress-strain behavior and elastic instabilities during the solid-solid phase transformation (PT) when subjected to a general stress tensor, as exemplified for semiconducting Si I and metallic Si II, where metallization precedes the PT, so stre... View More