Theoretical evaluation of crystalline state properties of chalcogenide crystals with sodium chloride structure

Biswaqit Ghatak, Jagdhar Mandal
2010 Zenodo  
University Department of Physics, T. M. Bhagalpur University, Bhagalpur-812 007, Bihar, India E-mail : biswajit.ghatak@rediffmail.com Manuscript received 16 October 2008, revised J June 2009, accepted J Ju11e 2009 Hellmann and All-Hasan forms or repulsive potential functions have been applied to compute the values or cohesive energy, atomization energy, force constant, IR absorption frequency, Debye temperature, Gruneisen parameter, Anderson-Gruneisen parameter and Moelwyn-Hughes parameter for
more » ... 5 chalcogenide l:rystals of NaCI-structure. The results are reported here. Calculations are also performed for the estimation of first order volume dependence of Gruneisen parameter commonly known as second Gruneisen 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.
doi:10.5281/zenodo.5779071 fatcat:y3tkajopdzbr7g4g363xewg4wa