High-pressure study of a nanostructured SnSe1−xSx (x = 0.5) solid solution by in-situ X-ray diffraction and ab-initio calculations.

A nanostructured solid solution of SnSe 1−x S x with x = 0.5 synthesized by mechanical alloying and its structural stability was studied by calorimetric measurements under high pressure conditions. The structural behavior under pressure was investigated using angle-dispersive X-ray diffraction in a synchrotron source and first-principles density functional theory (DFT) calculations. The variations of the cell structure phases were described by a third-order Birch–Murnaghan equation of state. Image 1 • The nanostructured SnSSe was obtained by mechanical alloying and submitted to high-pressures. • The unexpected isotropic unit cell behavior was observed. • An orthorhombic - orthorhombic phase transition happens around 14 GPa. [ABSTRACT FROM AUTHOR]