English

Calculation of Elastic Constants of $\gamma Ce$

Materials Science 2007-05-23 v1

Abstract

In this paper we calculated the elastic constants of γCe\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.

Keywords

Cite

@article{arxiv.cond-mat/0701543,
  title  = {Calculation of Elastic Constants of $\gamma Ce$},
  author = {P. Rezaeian and S. Jalali Asadabadi and H. Amini},
  journal= {arXiv preprint arXiv:cond-mat/0701543},
  year   = {2007}
}

Comments

3 Pages, 3 Figures