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- Pourovskii, Leonid, et al.
(författare)
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Impact of electronic correlations on the equation of state and transport in epsilon-Fe
- 2014
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 90:15, s. 155120-
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Tidskriftsartikel (refereegranskat)abstract
- We have obtained the equilibrium volumes, bulk moduli, and equations of state of the ferromagnetic cubic alpha and paramagnetic hexagonal epsilon phases of iron in close agreement with experiment using an ab initio dynamical mean-field-theory approach. The local dynamical correlations are shown to be crucial for a successful description of the ground-state properties of paramagnetic epsilon-Fe. Moreover, they enhance the effective mass of the quasiparticles and reduce their lifetimes across the alpha -greater than epsilon transition, leading to a stepwise increase of the resistivity, as observed in experiment. The calculated magnitude of the jump is significantly underestimated, which points to nonlocal correlations. The implications of our results for the superconductivity and non-Fermi-liquid behavior of epsilon-Fe are discussed.
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| 2. |
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| 3. |
- Pourovskii, L. V., et al.
(författare)
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Electron-electron scattering and thermal conductivity of epsilon-iron at Earths core conditions
- 2017
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Ingår i: New Journal of Physics. - : IOP PUBLISHING LTD. - 1367-2630. ; 19
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Tidskriftsartikel (refereegranskat)abstract
- The electronic state and transport properties of hot dense iron are of the utmost importance for the understanding of Earths interior. Combining state-of-the-art density functional and dynamical mean field theories we study the impact of electron correlations on the electrical and thermal resistivity of hexagonal close-packed epsilon-Fe at Earths core conditions and show that the electron-electron scattering in epsilon-Fe exhibit a nearly perfect Fermi-liquid (FL) behavior. Accordingly, the quadratic dependence of the scattering rate, typical of FLs, leads to a modification of the Wiedemann-Franz law and suppresses the thermal conductivity with respect to the electrical one. The consequence is a significant increase of the electron-electron thermal resistivity, which is found to be of comparable magnitude to the electron-phonon one.
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