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Title [sv]
Ab-initio teori för okonventionell supraledning i f-elektronmaterialer
Title [en]
Ab initio Theory for Unconventional f-Electron Superconductors
Abstract [sv]
f-electron materials display a fascinatingly rich variety of unusual physical phenomena, such as heavy-fermion or Kondo insulating behavior, exotic magnetic, multipolar or orbital ordering, and superconductivity (SC). A particular issue of high, current importance in fundamental science is the nature of the superconducting state, which, for several f-electron materials could be established to be unconventional. We propose a theoretical study of unconventional, f-electron SC materials, such as CeCoIn5, CeIrIn5, PuCoGa5, PuRhGa5, UPd2Al3 and URu2Si2. Our aim is to understand in detail the correlated electronic structure of the material in relation to observed anomalous properties. Our study will consist of the following parts: 1) highly accurate calculations of the relativistic electronic structures using the LSDA, LSDA+U, and LSDA+DMFT approaches. 2) Comparison of computed energy bands and Fermi surfaces to experimental data to validate the computed electronic structure and study the development of coherence effects in the Kondo lattice. 3) To use the computed energy bands and FS’s in numerical, self-consistent calculations of the SC gap equation and perform modeling of the pairing-potentials. We expect our investigations to provide new, detailed insight in the electronic structure of these materials in relation to the occurrence of unconventional SC and to provide clues as to which pairing mechanism is responsible for the superconductivity.
Principal InvestigatorOppeneer, Peter
Coordinating organisation
Uppsala University
Funder
Period
2009-01-01 － 2010-12-31
Identifiers
DiVA, id: project:3384Project, id: 2008-04483_VR

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