Computation of crystalline state properties of chalcogenide crystals with antifluorite structure

University Department of Physics, T. M. Bhagalpur University, Bhagalpur-812 007, Bihar, India
E-mail : biswajit.ghatak@rediffmail.com
Manuscript received 31 December 2008, accepted 30 December 2010

The crystalline state properties such as of cohesive energy, atomization energy, force constant, IR absorption frequency, Debye temperature, Griineisen parameter, Anderson-Griineisen parameter and Moelwyn-Hughes parameter for 14 chalcogenlde crystals of antifiuorite are reported here. These parameters have been obtained by using the Born-Mayer and Varshni-Shukla interionic short-range repulsive interactions. Calculations are also performed for the computation of first order volume dependence of Griineisen parameter commonly known as second Griineisen parameter using expressions of higher order derivatives of interaction potential within the frame work of Dugdale and Macdonald theory. The high pressure behaviour of these crystals have also been studied. The results obtained here may add a little to the physics and chemistry of these crystals.