Vibrational and elastic properties of Ln2Sn2O7 (Ln = La, Sm, Gd, Dy, Ho, Er, Yb, or Lu)

Abstract

In this study, an eight-parameter bond-bending force constant model was used to calculate the zone center phonon frequencies, elastic constants, and related properties of the stannate compounds Ln(2)Sn(2)O(7) (Ln = La, Sm, Gd, Dy, Ho, Er, Yb, or Lu) with a pyrochlore structure. We found that the Sn-O bond strengths dominate the Ln-O and O-O bonds. We also found that all of the materials are ductile and anisotropic in nature. The anisotropic nature of the compounds increases in the order of: La2Sn2O7 < Sm2Sn2O7 < Gd2Sn2O7 < Dy2Sn2O7 < HO2Sn2O7 < Er2Sn2O7 < Yb2Sn2O7 < Lu2Sn2O7.