Calculation of Elastic Constants of $γCe$

Details Calculation of Elastic Constants of $γCe$ Calculation of Elastic Constants of $γCe$

2007-01-23

arxiv.org/abs/cond-mat/0701543v1

Annual Physics Conference of Iran, World Year of Physics, Khoramabad, Iran (2005)

Physics

Condensed Matter

Materials Science

3 Pages, 3 Figures

Scientific paper

In this paper we calculated the elastic constants of $\gamma Ce$. 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.

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