gamma-alpha Isostructural Transition in Cerium

Titlegamma-alpha Isostructural Transition in Cerium
Publication TypeJournal Article
Year of Publication2013
AuthorsLanata N, Yao YX, Wang CZ, Ho KM, Schmalian J, Haule K, Kotliar G
Journal TitlePhysical Review Letters
Volume111
Pages196801
Date Published11
Type of ArticleArticle
ISBN Number0031-9007
Accession NumberWOS:000326536800004
KeywordsCE, electronic-structure, high-pressure, mean-field theory, metal, photoemission, volume collapse
Abstract

We present zero-temperature first-principles calculations of elemental cerium and we compute its pressure-volume phase diagram within a theoretical framework able to describe simultaneously both the alpha and the gamma phases. A surprising result revealed by our study is the presence of a clear signature of the transition at zero temperature and that this signature can be observed if and only if the spin-orbit coupling is taken into account. Our calculations indicate that the transition line in the pressure-temperature phase diagram of this material has a low-T critical point at negative pressures, placed very close to zero temperature. This suggests that cerium is very close to being "quantum critical," in agreement with recent experiments.

URL<Go to ISI>://WOS:000326536800004
DOI10.1103/PhysRevLett.111.196801