Crystal dynamics of zinc chalcogenides I: an application to ZnSCrystal dynamics of zinc chalcogenides I: an application to ZnS

Authors : Jay Prakash DUBEY, Raj Kishor TIWARI, Kripa Shankar UPADHYAYA, Pramod Kumar PANDEY

Pages : 242-253

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Publication Date : 0000-00-00

Article Type : Research Paper

Abstract :A van der Waals three body force rigid shell model insert ignore into journalissuearticles values(VTRSM); developed earlier for NaCl and CsCl structure was expanded by us for zinc blende structure insert ignore into journalissuearticles values(ZBS);. This model includes the effect of three body interactions and van der Waals interactions in the rigid shell model where short-range interactions were considered up to the second neighbor. Our model thus developed was applied to study the phonon dispersion curves, Debye temperature variation, two phonon Raman/IR spectra, and anharmonic elastic properties of ZnS. Our results are in good agreement with the measured data wherever available.
Keywords : Phonons, van der Waals interactions, Debye temperature, combined density of states curve, Raman spectra, zinc sulfide, phonon dispersion curves, lattice dynamics