منابع مشابه
γ-α 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 sp...
متن کاملDensity-functional theory for f-electron systems: the α-γ phase transition in cerium.
The isostructural α-γ phase transition in cerium is analyzed using density-functional theory with different exchange-correlation functionals, in particular the PBE0 hybrid functional and the exact-exchange plus correlation in the random-phase approximation [(EX+cRPA)@PBE0] approach. We show that the Hartree-Fock exchange part of the hybrid functional gives rise to two distinct solutions at zero...
متن کاملX-ray emission spectroscopy of cerium across the γ-α volume collapse transition.
High-pressure x-ray emission measurements are used to provide crucial evidence in the longstanding debate over the nature of the isostructural (α, γ) volume collapse in elemental cerium. Extended local atomic model calculations show that the satellite of the Lγ emission line offers direct access to the total angular momentum observable (J(2)). This satellite experiences a 30% steplike decrease ...
متن کاملDiffusionless γ⇄α phase transition in polycrystalline and single-crystal cerium.
The cerium γ⇄α transition was investigated using high-pressure, high-temperature angle-dispersive x-ray diffraction measurements on both poly- and single-crystalline samples, explicitly addressing symmetry change and transformation paths. The isomorphic hypothesis of the transition is confirmed, with a transition line ending at a solid-solid critical point. The critical exponent is determined, ...
متن کاملα-γ transition in cerium: Magnetic form factor and dynamic magnetic susceptibility in dynamical mean-field theory
B. Chakrabarti,1 M. E. Pezzoli,2,1 G. Sordi,3,4 K. Haule,1 and G. Kotliar1 1Department of Physics & Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA 2Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York 11794, USA 3SEPnet and Hubbard Theory Consortium, Department of Physics, Royal Holloway, University of London, Egham, Surrey TW20 0EX, United K...
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ژورنال
عنوان ژورنال: Journal of Physics F: Metal Physics
سال: 1983
ISSN: 0305-4608
DOI: 10.1088/0305-4608/13/5/014