Epitaxy-induced structural phase transformations

Using our calculated structural energies for CdTe, MgS, and NaCl, we describe how hydrostatic pressure versus volume data relate to epitaxial structural energies. We predict, e.g., that for thicknesses below a few monolayers CdTe may be grown in the β-Sn structure and MgS and NaCl can be stabilized in the zinc-blende form if grown on suitable substrates. Considerably thicker films may be grown metastably.