Abstract:
The electronic, magnetic, thermodynamical (Curie temperature), and transport properties of complex magnetic systems will be presented. The studied systems include: (i) fcc-and bcc-phases of Ni and permalloy [1], (ii) fcc Ni-based alloys (CuNi, NiPd, NiFe, NiMn, and NiCo) [2], and (iii) quaternary semi-Heusler alloys (Cu,Ni)MnSb [3]. Some systems, in addition to chemical disorder, exhibit also magnetic disorder (NiMn, (Cu,Ni)MnSb). Electronic and magnetic properties are determined by the TB-LMTO approach in which chemical and spin disorder are treated in the coherent potential approximation, while thermodynamic properties are based on the Heisenberg Hamiltonian derived on the basis of electronic structure calculations. Finally, the transport properties are studied using the Kubo-Greenwood approach including disorder-induced vertex corrections. We also present a detailed comparison of results of numerical simulations with available experimental data.

In collaboration with V. Drchal, I. Turek, F. Maca, P. Bruno, and P. Weinberger

[1] Phys. Rev. B 77 (2008) 054431
[2] Phys. Rev. B 77 (2008) 212503
[3] Phys. Rev. B 78 (2008) 054441