4.6 Article

γ and β cerium:: LDA+U calculations of ground-state parameters

Journal

PHYSICAL REVIEW B
Volume 77, Issue 15, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.77.155104

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In this paper, we present a study of the beta phase of cerium. We show that this is a correlated phase like gamma cerium. Their structural parameters and the antiferromagnetic ground state of beta Cerium are correctly described within the local density approximation with a Hubbard parameter U (LDA+U). We also discuss the problem of the search for the ground state of the system. The calculations are done within the projector augmented wave framework.

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