Dresden 2014 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 30: Superconductivity - Poster Session
TT 30.23: Poster
Montag, 31. März 2014, 15:00–19:00, P2
DFT Study on 122 pnictide superconductors and related compounds — •Tobias Förster1, Helge Rosner2, Andrey Polyakov1, Marek Bartkowiak1, Andrea D. Bianchi3, and Jochen Wosnitza1 — 1Hochfeld-Magnetlabor Dresden (HLD), Helmholtz-Zentrum Dresden-Rossendorf, D-01328 Dresden, Deutschland — 2Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden, Deutschland — 3Départment de Physique and RQMP, Université de Montréal, Montréal H3C 3J7, Canada
The Fermi-surface topology of iron-pnictide superconductors stimulated many theories on the pairing mechanism in these materials. Especially the degree of nesting between quasi-two-dimensional hole and electron bands is regarded as a key ingredient. However, also more localized pictures and the duality of both itinerant and localized degrees of freedom of the Fe d electrons are considered. Here, we present a detailed electronic structure study of several AT2P2 (A=Ba, La, Ce; T=Fe, Rh, Ir) pnictides with ThCr2Si2 tetragonal structure type. Applying full potential density functional calculations in different approximations, we attempt to separate the influence of different parameters of the crystal structure on topology and character of the respective Fermi surfaces. For several compounds (LaFe2P2, BaIr2P2 und CeFe2P2), we will compare our calculated results with de Haas-van Alphen measurements and provide implications regarding their superconducting or magnetic properties.