ABSTRACT
We have extended a recently proposed correlated cluster mean-field (CCMF) theory to two-dimensional binary alloys with interactions up to the next-nearest neighbors and investigated their critical behavior. A very good agreement with results from the renormalization group theory was obtained for the critical temperatures of a simple model. We finally successfully compared our results obtained using the CCMF with the results of Monte Carlo simulations for the case of ordering in a random Fe(0.5)Co(0.5) overlayer on the Cu(001) substrate. The proposed theory represents a numerically efficient alternative to existing approaches like the cluster variation method and Monte Carlo simulations.
ABSTRACT
We study the two-band degenerate Hubbard model using the fluctuation exchange approximation (FLEX) and compare the results with quantum Monte Carlo (QMC) calculations. Both the self-consistent and the non-self-consistent versions of the FLEX scheme are investigated. We find that, unlike in the one-band case, in the multiband case, good agreement with the quantum Monte Carlo results is obtained within the electron-electron T-matrix approximation using the full renormalization of the one-particle propagators. The crossover to strong coupling and the formation of satellites is more clearly visible in the non-self-consistent scheme. Finally we discuss the behaviour of the FLEX for higher orbital degeneracy.
ABSTRACT
We demonstrate that the magnetic properties of diluted magnetic semiconductors are dominated by short ranged interatomic exchange interactions that have a strong directional dependence. By combining first principles calculations of interatomic exchange interactions with a classical Heisenberg model and Monte Carlo simulations, we reproduce the observed critical temperatures of a broad range of diluted magnetic semiconductors. We also show that agreement between theory and experiment is obtained only when the magnetic atoms are randomly positioned. This suggests that the ordering of diluted magnetic semiconductors is heavily influenced by magnetic percolation, and that the measured critical temperatures should be very sensitive to details in the sample preparation, in agreement with observations.
ABSTRACT
The effective exchange interactions of magnetic overlayers Fe/Cu(001) and Co/Cu(001) covered by a Cu-cap layer of varying thickness were calculated in real space from first principles. The effective two-dimensional Heisenberg Hamiltonian was constructed and used to estimate magnon dispersion laws, spin-wave stiffness constants, and overlayer Curie temperatures within the mean-field and random-phase approximations. Overlayer Curie temperature oscillates as a function of the cap-layer thickness in a qualitative agreement with a recent experiment.
