Structural and elastic properties of PuS, PuSe and PuTe

Abstract

We have investigated the structural phase transition and higher order elastic constants of plutonium chalcogenides (PuX, X=S,Se,Te) using three body interaction potential (TBIP). The three body interaction arises from the electron-shell deformation when the nearest–neighbor ions overlap. This method has been found quite satisfactory in the case of other alkaline earth chalcogenides. The calculated equation of states of plutonium chalcogenides have been compared with high pressure X-ray diffraction data. The theoretically predicted phase transition pressure and other structural properties for these compounds agree reasonably well with the measured values. We have also reported the second and third order elastic constants and second order pressure derivatives. The variation of second order elastic constants (SOEC) is also presented.We have investigated the structural phase transition and higher order elastic constants of plutonium chalcogenides (PuX, X=S,Se,Te) using three body interaction potential (TBIP). The three body interaction arises from the electron-shell deformation when the nearest–neighbor ions overlap. This method has been found quite satisfactory in the case of other alkaline earth chalcogenides. The calculated equation of states of plutonium chalcogenides have been compared with high pressure X-ray diffraction data. The theoretically predicted phase transition pressure and other structural properties for these compounds agree reasonably well with the measured values. We have also reported the second and third order elastic constants and second order pressure derivatives. The variation of second order elastic constants (SOEC) is also presented.