High pressure γ-to-β phase transition in bulk and nanocrystalline In2Se3

Pressure-dependent phase transitions of In₂Se₃ bulk powders and nanowire samples were studied at room temperature using synchrotron X-ray diffraction and a diamond anvil cell. γ-In₂Se₃, metastable under ambient conditions, transforms into to the stable high pressure β phase between 2.8 and 3.2?GPa in bulk powder samples and at slightly higher pressures, between 3.2 and 3.7?GPa, in nanowire samples. While the γ phase bulk modulus is similar to that of the β phase, the decrease due to pressure in the unit cell parameter ratio, c/a, is less than half the decrease seen in the β phase. First-principles calculations show that γ-In₂Se₃ has a higher energy and unit-cell volume than β-In₂Se₃, consistent with the experimental observations.