Anomalous structural phase transition properties in ReSe2 and Au-doped ReSe2

J Chem Phys. 2012 Jul 14;137(2):024509. doi: 10.1063/1.4733985.

Abstract

The high pressure induced phase transition in rhenium diselenides (ReSe(2)) and gold-doped rhenium diselenides (Au-ReSe(2)) at ambient temperature have been investigated using angular-dispersive x-ray diffraction (ADXRD) under high pressure up to around 10.50 and 9.98 GPa, respectively. In situ ADXRD measurements found that the phase transition pressures of ReSe(2) and Au-ReSe(2) began at 9.98 and 8.52 GPa, respectively. Compressibilities analysis shows the relationship of along c-axis > along a-axis > along b-axis. The linear compressibility of the pressure dependence of α, β, and γ of ReSe(2) shows that a phase transition can be related to a counterclockwise rotational trend of the selenium atoms around the chain of Re(4) atoms during the decrease of the c-axis distance by a combination of stresses due to the bending effect of α and stretching effect of β. The cause of the reduction of the phase transition pressure of Au-ReSe(2) is attributed mainly to a structural distortion as evidenced by the observation of a weak clockwise rotational trend of Se atoms around the chain of Re(4) atoms in the pressure range 3.99-4.99 GPa which subsequently reversed to counterclockwise rotation under higher pressure.