Calculation of Elastic Constants of $\gamma Ce$
Materials Science
2007-05-23 v1
Abstract
In this paper we calculated the elastic constants of . 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.
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