Calculated de Haas-van Alphen frequencies ofI. Opahle1, S. Elgazzar1, 2, V. D. P. Servedio3, 4, Manuel Richter1 and P. M. Oppeneer5
1 IFW Dresden - P.O. Box 270116, D-01171 Dresden, Germany
2 Department of Physics, Faculty of Science, Menoufia University Shebin El-kom, Egypt
3 Centro Studi e Ricerche E. Fermi - Compendio Viminale, Roma, Italy
4 Dipartimento di Informatica e Sistemistica, Università di Roma "La Sapienza" Via Salaria 113, 00198 Roma, Italy
5 Department of Physics, Uppsala University - Box 530, S-751 21 Uppsala, Sweden
received 13 December 2005; accepted in final form 6 February 2006
published online 24 February 2006
The electronic structure and magnetic properties of 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 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 shows an intrinsic GMR effect at moderate magnetic field.
71.18.+y - Fermi surface: calculations and measurements; effective mass, g factor.
71.15.Rf - Relativistic effects.
71.20.-b - Electron density of states and band structure of crystalline solids.
© EDP Sciences 2006