Fig. 1: XRD and EOS fitting result.
From: Phase transition mechanism and bandgap engineering of Sb2S3 at gigapascal pressures
a Rietveld refinements results of Sb2S3 at 11 GPa. b P–V data is fitted to the third-order Birch-Murnaghan equation. Solid lines were fit to two segments of data while dashed line was fit for the whole range of data with V0 = 120.3(7) Å3/f.u., K0 = 48(6) GPa and K′ = 5.4(9). Volume uncertainties are generally smaller than the size of symbols. c the signature layered chains of SbS5 polyhedral collapsed into a bulky structure in between 9.1 and 11.1 GPa. d Evaluation of crystal structure parameters up to 20.6 GPa. The errorbars in cell volume and lattice parameters were generated by the refinement of X-ray diffraction pattern and the Unitcell fitting process.
