Regensburg 2010 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 39: SC: Iron-Based Superconductors - 1111
TT 39.3: Talk
Friday, March 26, 2010, 10:45–11:00, H19
Effect of doping and pressure on the high-Tc superconductor YOFeAs – comparison with LaOFeAs — •Ingo Opahle1, Yu-Zhong Zhang1, Hem C. Kandpal2, Harald O. Jeschke1, and Roser Valenti1 — 1Institut für Theoretische Physik, Universität Frankfurt, 60438 Frankfurt/Main, Germany — 2IFW Dresden, P.O.B. 270016, D-01171 Dresden, Germany
The electronic structure of the high-Tc superconductor YOFeAs is calculated in the framework of density functional theory. Undoped YOFeAs is found to show the same spin density wave (SDW) instability as previously reported for LaOFeAs. The calculated Fe moment at ambient pressure is slightly smaller in YOFeAs than in LaOFeAs, but remains nonzero up to higher pressures compared to LaOFeAs. The Fermi surface shows similar strong nesting features like the one of LaOFeAs, stabilizing the spin density wave state. The effect of doping on the SDW state and implications for the superconductivity will be discussed.