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arXiv · 1305.3950

The $γ$-$α$ iso-structural Transition in Cerium, a Critical Element

Nicola Lanatà·Yong-Xin Yao·Cai-Zhuang Wang·Kai-Ming Ho·Jörg Schmalian·Kristjan Haule·Gabriel Kotliar
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Abstract

Below the critical temperature $T_c\simeq 600 K$, an iso-structural transition, named $γ$-$α$ 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 $γ$-$α$ 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 $γ$-$α$ transition at zero temperature.

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Nicola Lanatà, Yong-Xin Yao, Cai-Zhuang Wang, Kai-Ming Ho, Jörg Schmalian, Kristjan Haule, Gabriel Kotliar. 2013-05-20. The $γ$-$α$ iso-structural Transition in Cerium, a Critical Element. https://doi.org/10.1103/physrevlett.111.196801

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