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MA: Magnetismus

MA 26: Electron Theory

MA 26.10: Vortrag

Donnerstag, 30. März 2006, 12:30–12:45, HSZ 401

Calculated de Haas-van Alphen frequencies of NpCoGa₅ — •Ingo Opahle¹, Saad Elgazzar¹, Vito D.P. Servedio², Manuel Richter¹, and Peter M. Oppeneer³ — ¹IFW Dresden, P.O. Box 270116, D-01171 Dresden, Germany — ²Dip. di Fisica, Univ. di Roma "La Sapienza", 00185 Roma, Italy — ³Department of Physics, Uppsala University, Box 530, S-751 21 Uppsala, Sweden

The electronic structure and magnetic properties of NpCoGa₅ are investigated in the framework of relativistic density functional theory in the local spin density approximation (LSDA) with and without orbital polarization (OP) corrections. A detailed analysis of the Fermi surface is presented. Comparison of the calculated angular dependence of the de Haas-van Alphen frequencies with recent experimental data shows that LSDA reproduces the main features of the Fermi surface topology, while the spin and orbital moments of NpCoGa₅ are less well described. The inclusion of OP corrections leads to a very good agreement between calculated and measured de Haas-van Alphen frequencies, but does not yield a significant improvement of the calculated magnetic properties. We predict that NpCoGa₅ shows an intrinsic GMR effect at moderate magnetic field.