Literature DB >> 22400942

Structure of iron to 1 Gbar and 40, 000 K.

Lars Stixrude1.   

Abstract

First-principles calculations show that compression-induced electronic transitions produce a rich phase diagram featuring reentrant stability of the fcc phase with an extremum on the fcc to hcp boundary at 23 Mbar and 19 000 K, conditions similar to those expected at the center of super-Earth exoplanets. Transformations of hcp to fcc at 57 Mbar due to 4s to 3d electron transfer and from fcc to a body-centered structure at 320 Mbar due to hybridization of the 3d with the core 3p band are experimentally observable along a quasi-isentrope generated by laser-induced ramp compression.

Entities:  

Year:  2012        PMID: 22400942     DOI: 10.1103/PhysRevLett.108.055505

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


  3 in total

1.  Prediction of 10-fold coordinated TiO2 and SiO2 structures at multimegabar pressures.

Authors:  Matthew J Lyle; Chris J Pickard; Richard J Needs
Journal:  Proc Natl Acad Sci U S A       Date:  2015-05-19       Impact factor: 11.205

2.  High pressure synthesis of a hexagonal close-packed phase of the high-entropy alloy CrMnFeCoNi.

Authors:  Cameron L Tracy; Sulgiye Park; Dylan R Rittman; Steven J Zinkle; Hongbin Bei; Maik Lang; Rodney C Ewing; Wendy L Mao
Journal:  Nat Commun       Date:  2017-05-25       Impact factor: 14.919

3.  Electronic correlations determine the phase stability of iron up to the melting temperature.

Authors:  I Leonov; A I Poteryaev; Yu N Gornostyrev; A I Lichtenstein; M I Katsnelson; V I Anisimov; D Vollhardt
Journal:  Sci Rep       Date:  2014-07-07       Impact factor: 4.379

  3 in total

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