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Title: Gamma-alpha Isostructural Transition in Cerium

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.
Authors:
 [1] ;  [2] ;  [2] ;  [2] ;  [3] ;  [1] ;  [1]
  1. Rutgers University
  2. Ames Laboratory
  3. Karlsruhe Institute of Technology
Publication Date:
OSTI Identifier:
1132064
Report Number(s):
IS-J 8184
Journal ID: ISSN 0031-9007
DOE Contract Number:
DE-AC02-07CH11358
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review Letters; Journal Volume: 111
Publisher:
American Physical Society (APS)
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE