Portal de Periódicos da CAPES

Importance of Correlation Effects in hcp Iron Revealed by a Pressure-Induced Electronic Topological Transition

2013; American Physical Society; Volume: 110; Issue: 11 Linguagem: Inglês

10.1103/physrevlett.110.117206

1092-0145

Konstantin Glazyrin, Leonid V. Pourovskii, Leonid Dubrovinsky, O. Narygina, Catherine McCammon, B. Hewener, Volker Schünemann, Juliusz A. Wolny, Kai Muffler, A. I. Chumakov, Wilson A. Crichton, Michael Hanfland, V. Prakapenka, Ferenc Tasnádi, Marcus Ekholm, Markus Aichhorn, V. Vildosola, A. V. Ruban, M. I. Katsnelson, Igor A. Abrikosov,

Magnetic properties of thin films

We discover that hcp phases of Fe and ${\mathrm{Fe}}_{0.9}{\mathrm{Ni}}_{0.1}$ 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 M\"ossbauer 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.