The $\gamma$-$\alpha$ iso-structural Transition in Cerium, a Critical Element

Abstract

Below the critical temperature $T_c\simeq 600K$, an iso-structural transition, named $\gamma$-$\alpha$ transition,can be induced in Cerium by applying pressure. This transition is first-order, and is accompanied by a sizable volume collapse. A conclusive theoretical explanation of this intriguing phenomenon has still not been achieved, and the physical pictures proposed so far are still under debate. In this work, we illustrate zero-temperature first-principle calculations which clearly demonstrate that the $\gamma$-$\alpha$ transition is induced by the interplay between the electron-electron Coulomb interaction and the spin-orbit coupling. We address the still unresolved problem on the existence of a second low-$T$ critical point, i.e., whether the energetic effects alone are sufficient or not to induce the $\gamma$-$\alpha$ transition at zero temperature.

8 pages, 6 figures

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