Publication Date:
2013-03-22
Description:
Author(s): L. V. Pourovskii, T. Miyake, S. I. Simak, A. V. Ruban, L. Dubrovinsky, and I. A. Abrikosov We employ state-of-the-art ab initio simulations within the dynamical mean-field theory to study three likely phases of iron (hcp, fcc, and bcc) at the Earth's core conditions. We demonstrate that the correction to the electronic free energy due to correlations can be significant for the relative st... [Phys. Rev. B 87, 115130] Published Thu Mar 21, 2013
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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