LATTICE DYNAMICAL STUDY OF THORIUM SULPHIDE

Abstract

Thorium sulfide (ThS) is a chemical compound composed of thorium and sulfur atoms, with the chemical formula ThS. It belongs to the class of sulfides. To understand the dimensional stability and thermal behaviour of thorium sulphide (ThS), a lattice dynamical research issued to investigate its vibrational characteristics. We study the density of states (DOS) and phonon dispersion in the 50–60 GHz frequency region using computational techniques. Important information about the stability of the ThS crystal structure are given by the phonon dispersion curves, namely the presence of imaginary phonon frequencies that point to dynamical stability. We identify the major modes of vibration and their contributions to the thermodynamic properties of ThS through studying the phonon density of states.Van der Waals' three-body force shell model is used in this study to theoretically investigate the lattice dynamical behaviour of (ThS...). Elastic constants, pressure derivatives, dispersion relation curve, combined density of states, equation of state, and specific ultrasonic properties of the ThS are among the parameters for which calculated values are gave.The stability of the structure and vibrational properties of thorium sulphide are now better known by lattice dynamical study, which provides the way to its effective application in a range of technological uses, from nuclear reactors to the production of creative materials. Keywords: lattice, dynamics, thermal, vibrational