Start of funding 01.07.2010

Multiorbital modeling of the magnetic and superconducting state in iron-based superconductors

Prof. Dr. Arno Kampf
University of Augsburg
Lehrstuhl für Theoretische Physik III

Prof. Dr. Doug J. Scalapino
University of California, Santa Barbara
Department of Physics



The discovery of superconductivity in iron pnictides in 2008, which exhibit to date the highest critical temperature besides the copper based superconductors, has triggered enormous worldwide research activities with the aim to characterize and understand superconductivity in these novel compounds. In analogy to the copper based superconductors the superconductivity in the Fe pnictides emerges in the vicinity of an antiferromagnetic state and magnetic fluctuations appear as a natural origin for superconductivity in these materials. Multiple, strongly hybridized energy bands are a necessary ingredient for the theoretical modeling as a basis for the multitude of already available experimental results. The goal of this project .is to develop a microscopic description of the magnetic and the superconducting ground states of the iron pnictides based on a multiorbital model for their electronic structure. In the symmetry-broken magnetic state the Raman light scattering intensity, the dynamic spin susceptibility, and the optical conductivity will be calculated with an emphasis on the doping and the pressure dependence of the electronic structure and the intra- and interorbital interaction parameters. The thereby determined electronic band structure and the interaction parameters will serve as an input for the theoretical analysis of the superconducting and the magnetic properties.

Final report:
The complexity of the electronic physics in iron pnictides becomes evident from the observation that different symmetries of the superconducting state are realized in the various material classes of pnictides. In a selected compound this symmetry may even vary upon doping. In the collaboration of Dr. Graser and Professor Scalapino the basic experimentally accessible quantities for inelastic neutron and x- ray scattering were analyzed theoretically. The spectral weight of phonons with wavevectors which connect different sheets of the Fermi surface was thereby identified as a well suited signature to identify the symmetry of the superconducting state in different pnictides. The thereby developed calculational tools for analyzing the elctronic structure of pnictide materials were also timely applied to iron-selenide superconductors which were discovered in early 2010. Specifically the structure of the pairing interaction was examined and led to the prediction that spin-fluctuation mediated superconductivity in iron selenides should have d-wave pairing symmetry.

Explicit experimental tests were suggested to verify this prediction by inelastic neutron scattering. The results of the fruitful collaboration between the University of Augsburg and the UC Santa Barbara were published as two Rapid Communications in the journal Physical Review B.