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Calculation of Elastic Constants of $γCe$

P. Rezaeian·S. Jalali Asadabadi·H. Amini
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Abstract

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.

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P. Rezaeian, S. Jalali Asadabadi, H. Amini. 2007-01-23. Calculation of Elastic Constants of $γCe$. https://arxiv.org/abs/cond-mat/0701543

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