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Register a new userCalculation of Elastic Constants of $gamma Ce$
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Saeid Jalali Asadabadi
Publication date
2007
fields
Physics
and research's language is
English
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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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