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Literature DB >> 25166573

Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition.

K Glazyrin¹, L V Pourovskii², L Dubrovinsky³, O Narygina⁴, C McCammon³, B Hewener⁵, V Schünemann⁵, J Wolny⁵, K Muffler⁵, A I Chumakov⁶, W Crichton⁶, M Hanfland⁶, V B Prakapenka⁷, F Tasnádi⁸, M Ekholm⁹, M Aichhorn¹⁰, V Vildosola¹¹, A V Ruban¹², M I Katsnelson¹³, I A Abrikosov⁸.

Abstract

We discover that hcp phases of Fe and Fe(0.9)Ni(0.1) undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound velocity, c/a lattice parameter ratio, and Mössbauer center shift observed in our experiments. First-principles simulations within the dynamic mean field approach demonstrate that the transition is induced by many-electron effects. It is absent in one-electron calculations and represents a clear signature of correlation effects in hcp Fe.

Entities: Chemical

Year: 2013 PMID： 25166573 DOI： 10.1103/PhysRevLett.110.117206

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

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Cited

8 in total

1. Epsilon iron as a spin-smectic state.

Authors: Blair W Lebert; Tommaso Gorni; Michele Casula; Stefan Klotz; François Baudelet; James M Ablett; Thomas C Hansen; Amélie Juhin; Alain Polian; Pascal Munsch; Gilles Le Marchand; Zailan Zhang; Jean-Pascal Rueff; Matteo d'Astuto
Journal: Proc Natl Acad Sci U S A Date: 2019-09-23 Impact factor: 11.205

2. The most incompressible metal osmium at static pressures above 750 gigapascals.

Authors: L Dubrovinsky; N Dubrovinskaia; E Bykova; M Bykov; V Prakapenka; C Prescher; K Glazyrin; H-P Liermann; M Hanfland; M Ekholm; Q Feng; L V Pourovskii; M I Katsnelson; J M Wills; I A Abrikosov
Journal: Nature Date: 2015-08-24 Impact factor: 49.962

3. Ultrahigh-pressure isostructural electronic transitions in hydrogen.

Authors: Cheng Ji; Bing Li; Wenjun Liu; Jesse S Smith; Arnab Majumdar; Wei Luo; Rajeev Ahuja; Jinfu Shu; Junyue Wang; Stanislav Sinogeikin; Yue Meng; Vitali B Prakapenka; Eran Greenberg; Ruqing Xu; Xianrong Huang; Wenge Yang; Guoyin Shen; Wendy L Mao; Ho-Kwang Mao
Journal: Nature Date: 2019-09-25 Impact factor: 49.962

4. Highly Efficient Free Energy Calculations of the Fe Equation of State Using Temperature-Dependent Effective Potential Method.

Authors: Igor Mosyagin; Olle Hellman; Weine Olovsson; Sergei I Simak; Igor A Abrikosov
Journal: J Phys Chem A Date: 2016-10-21 Impact factor: 2.781

Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition.

1. Epsilon iron as a spin-smectic state.

2. The most incompressible metal osmium at static pressures above 750 gigapascals.

3. Ultrahigh-pressure isostructural electronic transitions in hydrogen.

4. Highly Efficient Free Energy Calculations of the Fe Equation of State Using Temperature-Dependent Effective Potential Method.

5. Low thermal conductivity of iron-silicon alloys at Earth's core conditions with implications for the geodynamo.

6. Phase stability and electronic structure of iridium metal at the megabar range.

7. Density Functional Theory Description of Paramagnetic Hexagonal Close-Packed Iron.

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