Structural and vibrational properties of Sb2S3: Practical methodologies for accelerated research and application of this low dimensional material

Recently, the interest for the family of low dimensional materials has increased significantly due to the anisotropic nature of their fundamental properties. Among them, antimony sulfide (Sb2S3) is considered a suitable material for various solid-state devices. Although the main advantages and physicochemical properties of Sb2S3 are known, some doubtful information remains in literature and methodologies to easily assess its critical properties are missing. In this study, an advanced characterization of several types of Sb2S3 samples, involving the Rietveld refinement of structural properties, and Raman spectroscopy analysis, completed with lattice dynamics investigations reveal important insights into the structural and vibrational characteristics of the material. Based on the gathered data, fast, non-destructive, and non-invasive methodologies for assessment of the crystallographic orientation and point defect concentration of Sb2S3 are proposed. With a high resolution in-sample and in-situ assessment, these methodologies will serve for accelerating the research and application of Sb2S3 in the research field. [Display omitted] •Advanced characterization of Sb2S3 based on DFT, XRD, and Raman spectroscopy•Three types of Sb2S3 samples measured: a mineral, monograin powder, and thin films•Raman-based methodology for assessing the orientation of ribbons in Sb2S3 developed•Assessment of Sb2S3 stoichiometry by Raman, based on first principle calculations Natural sciences; Physics; Materials science.