arXiv · 1005.1532
Electronic structure and superconductivity of Europium
Abstract
We have calculated the electronic structure of Eu for the bcc, hcp, and fcc crystal structures for volumes near equilibrium up to a calculated 90 GPa pressure using the augmented-plane wave method in the local-density approximation. The frozen-core approximation was used with a semi-empirical shift of the f-states energies in the radial Schr$\ddot{o}$dinger equation to move the occupied 4f valence states below the $\Gamma_1$ energy and into the core. This shift of the highly localized f-states yields the correct europium phase ordering with lattice parameters and bulk moduli in good agreement with experimental data. The calculated superconductivity properties under pressure for the $\it bcc$ and $\it hcp$ structures are also found to agree with and follow a $T_c$ trend similar to recent measurement by Debessai et al.$^1$
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Lane W. Nixon, D. A. Papaconstantopoulos. 2010-05-10. Electronic structure and superconductivity of Europium. https://doi.org/10.1016/j.physc.2010.07.004
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