Literature DB >> 16606020

The alpha-gamma transition of cerium is entropy driven.

B Amadon1, S Biermann, A Georges, F Aryasetiawan.   

Abstract

We emphasize, on the basis of experimental data and theoretical calculations, that the entropic stabilization of the gamma phase is the main driving force of the alpha-gamma transition of cerium in a wide temperature range below the critical point. Using a formulation of the total energy as a functional of the local density and of the f-orbital local Green's functions, we perform dynamical mean-field theory calculations within a new implementation based on the multiple linear muffin tin orbital (LMTO) method, which allows us to include semicore states. Our results are consistent with the experimental energy differences and with the qualitative picture of an entropy-driven transition, while also confirming the appearance of a stabilization energy of the alpha phase as the quasiparticle Kondo resonance develops.

Entities:  

Year:  2006        PMID: 16606020     DOI: 10.1103/PhysRevLett.96.066402

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  3 in total

1.  Phonons of the anomalous element cerium.

Authors:  Michael Krisch; D L Farber; R Xu; Daniele Antonangeli; C M Aracne; Alexandre Beraud; Tai-Chang Chiang; J Zarestky; Duck Young Kim; Eyvaz I Isaev; Rajeev Ahuja; Börje Johansson
Journal:  Proc Natl Acad Sci U S A       Date:  2011-05-19       Impact factor: 11.205

2.  Anomalous elastic properties across the γ to α volume collapse in cerium.

Authors:  Magnus J Lipp; Zs Jenei; H Cynn; Y Kono; C Park; C Kenney-Benson; W J Evans
Journal:  Nat Commun       Date:  2017-10-31       Impact factor: 14.919

3.  Phase stabilization by electronic entropy in plutonium.

Authors:  N Harrison; J B Betts; M R Wartenbe; F F Balakirev; S Richmond; M Jaime; P H Tobash
Journal:  Nat Commun       Date:  2019-07-18       Impact factor: 14.919

  3 in total

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