Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102353
Title: Correlation-Driven Topological Fermi Surface Transition in FeSe
Authors: Leonov, I.
Skornyakov, S. L.
Anisimov, V. I.
Vollhardt, D.
Issue Date: 2015
Publisher: American Physical Society
Citation: Correlation-Driven Topological Fermi Surface Transition in FeSe / I. Leonov, S. L. Skornyakov, V. I. Anisimov, et al. — DOI 10.1103/PhysRevLett.115.106402 // Physical Review Letters. — 2015. — Vol. 115. — Iss. 10. — 106402.
Abstract: The electronic structure and phase stability of paramagnetic FeSe is computed by using a combination of ab initio methods for calculating band structure and dynamical mean-field theory. Our results reveal a topological change (Lifshitz transition) of the Fermi surface upon a moderate expansion of the lattice. The Lifshitz transition is accompanied with a sharp increase of the local moments and results in an entire reconstruction of magnetic correlations from the in-plane magnetic wave vector, (π,π) to (π,0). We attribute this behavior to a correlation-induced shift of the van Hove singularity originating from the dxy and dxz/dyz bands at the M point across the Fermi level. We propose that superconductivity is strongly influenced, or even induced, by a van Hove singularity. © 2015 American Physical Society. © 2015 American Physical Society.
Keywords: ELECTRONIC STRUCTURE
FERMI SURFACE
MEAN FIELD THEORY
AB INITIO METHOD
DYNAMICAL MEAN-FIELD THEORY
LIFSHITZ TRANSITION
MAGNETIC CORRELATION
MAGNETIC WAVES
SURFACE TRANSITIONS
TOPOLOGICAL CHANGES
VAN HOVE SINGULARITIES
TOPOLOGY
URI: http://hdl.handle.net/10995/102353
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 84942162852
PURE ID: 298053
0dc56dc3-a69b-4715-8d4b-d82125172c63
ISSN: 319007
DOI: 10.1103/PhysRevLett.115.106402
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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