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

作者:Rasmussen, Anya M.; Mafi, Elham; Zhu, Wenguang; Gu, Yi; McCluskey, Matthew D.*
来源:High Pressure Research, 2016, 36(4): 549-556.
DOI:10.1080/08957959.2016.1214729

摘要

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. -In2Se3, metastable under ambient conditions, transforms into to the stable high pressure phase between 2.8 and 3.2GPa in bulk powder samples and at slightly higher pressures, between 3.2 and 3.7GPa, in nanowire samples. While the phase bulk modulus is similar to that of the phase, the decrease due to pressure in the unit cell parameter ratio, c/a, is less than half the decrease seen in the phase. First-principles calculations show that -In2Se3 has a higher energy and unit-cell volume than -In2Se3, consistent with the experimental observations.