Authors: JAY PRAKASH DUBEY, RAJ KISHOR TIWARI, KRIPA SHANKAR UPADHYAYA, PRAMOD KUMAR PANDEY
Abstract: We report the results of a theoretical study on phonon dispersion curves (PDCs) along the three principal symmetry directions, Debye temperature variation, combined density of states (CDS) curves, two-phonon Raman/IR peaks, and anharmonic elastic properties (third order elastic constants and their pressure derivatives) of ZnTe. This new van der Waals three-body force rigid shell model (VTRSM) incorporates the effect of van der Waals interactions and three-body interactions into the rigid shell model of zinc blende structure, where the short range interactions are operative up to the second neighbors. Our results are in good agreement with the available measured data for zinc telluride. It is concluded that this VTRSM will be equally applicable to study the above properties of other zinc blende structure solids.
Keywords: Lattice dynamics, van der Waals interactions, Debye temperature variation, combined density of states curve, Raman spectra, zinc telluride
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