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TT: Fachverband Tiefe Temperaturen

TT 39: SC: Iron-Based Superconductors - 1111

TT 39.3: Vortrag

Freitag, 26. März 2010, 10:45–11:00, H19

Effect of doping and pressure on the high-T_c 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-T_c 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.