Structural and Elasto-Mechanical Properties of Ordered Double Perovskite Ba2LuSbO6.

Here we comment on the structural and mechanical properties of double perovskite Ba2LuSbO6 for first time, via ab-initio method. Full potential Linearized augmented plane wave (FP-LAPW) method in two approximations, local spin density approximation (LSDA) and generalized gradient approximation (GGA), reveal second one predicts the correct ground state properties. The calculated lattice constant is found consistent with the experimental result. Second order elastic constants and other elastic moduli were calculated. The computed mechanical parameters reveal the brittle anisotropic nature of Ba2LuSbO6. [ABSTRACT FROM AUTHOR]