Structural characterization and simulation of colloidal<i>MnS</i>

Abstract

We report the characterization and simulation of (wurtzite phase). The crystals were obtained using a standard colloidal route (co-precipitation chemical reaction). The as-prepared samples were characterized by x-ray diffraction (XRD) and Raman spectroscopy. The XRD data indicate the successful preparation of the phase. The Raman spectra of the MnS sample show peaks at 221, 288, and 473 . The peaks at 221 and 473 are due to phase separation. The other peak was related to the phase. To the best of our knowledge, the Raman peak centered at 288 has never been reported. Also, the paper reports the phonon dispersion curve and dielectric constant of The spectra were calculated using density functional theory.