The thermodynamic stable phase of cerium metal in the intermediate pressure regime (5.0--13.0 GPa) is studied in detail by the newly developed local-density approximation (LDA)+ Gutzwiller method, which can include the strong correlation effect among the 4\textit{f} electrons in cerium metal properly. Our numerical results show that the α" phase, which has the distorted body-centered-tetragonal structure, is the thermodynamic stable phase in the intermediate pressure regime and all the other phases including the α′ phase (α-U structure), α phase (fcc structure), and bct phases are either metastable or unstable. Our results are quite consistent with the most recent experimental data.
@article{arxiv.1104.0156,
title = {Intermediate-pressure phases of cerium studied by an LDA + Gutzwiller method},
author = {Ming-Feng Tian and Xiaoyu Deng and Zhong Fang and Xi Dai},
journal= {arXiv preprint arXiv:1104.0156},
year = {2015}
}