Gamma-alpha Isostructural Transition in Cerium

Journal Article · Tue Nov 05 00:00:00 EST 2013 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.111.196801· OSTI ID:1132064

Lanata, Nicola ^[1]; Yao, Yong-Xin ^[2]; Wang, Cai-Zhuang ^[2]; Ho, Kai-Ming ^[2]; Schmalian, Jorg ^[3]; Haule, Kristjan ^[1]; Kotliar, Gabriel ^[1]

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1. Rutgers University
2. Ames Laboratory
3. Karlsruhe Institute of Technology

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 α and the γ 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.

• Research Organization: Ames Lab., Ames, IA (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: DE-AC02-07CH11358
• OSTI ID: 1132064
• Report Number(s): IS-J 8184
• Journal Information: Physical Review Letters, Vol. 111; ISSN 0031-9007
• Publisher: American Physical Society (APS)
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE