Calculation of Elastic Constants of $γCe$

Rezaeian, P.; Asadabadi, S. Jalali; Amini, H.

Calculation of Elastic Constants of $γCe$

Authors

Rezaeian, P.

Asadabadi, S. Jalali

Amini, H.

Description

In this paper we calculated the elastic constants of $γCe$. The calculations were performed self-consistently using the full potential augmented plane wave plus local orbital (FP-APW+lo) method. We used the generalized gradient approximation (GGA) to calculate the exchange-correlation energy. The elastic constants were obtained from the second order derivatives of energy with respect to lattice parameters. In this work we introduced a method to impose a deformation to the primary structure to simplify our calculations changing an fcc structure to bct.
3 Pages, 3 Figures