Using Dynamical Mean Field Theory (DMFT) and Monte Carlo (MC) simulations, we study the ferromagnetic transition temperature (Tc) of a two-band model for Diluted Magnetic Semiconductors (DMS), varying coupling constants, hopping parameters, and carrier densities. We found that Tc is optimized at all fillings p when both impurity bands (IB) fully overlap in the same energy range, namely when the exchange couplings J and bandwidths are identical. The optimal Tc is found to be about twice larger than the maximum value obtained in the one-band model, showing the importance of multiband descriptions of DMS at intermediate J's.
The crossover between an impurity band ͑IB͒ and a valence band ͑VB͒ regime as a function of the magnetic impurity concentration in a model for diluted magnetic semiconductors ͑DMSs͒ is studied systematically by taking into consideration the Coulomb attraction between the carriers and the magnetic impurities. The density of states and the ferromagnetic transition temperature of a spin-fermion model applied to DMSs are evaluated using dynamical mean-field theory and Monte Carlo ͑MC͒ calculations. It is shown that the addition of a square-well-like attractive potential can generate an IB at small enough Mn doping x for values of the p-d exchange J that are not strong enough to generate one by themselves. We observe that the IB merges with the VB when x ജ x c where x c is a function of J and the Coulomb strength V. Using MC simulations, we demonstrate that the range of the Coulomb attraction plays an important role. While the on-site attraction, which has been used in previous numerical simulations, effectively renormalizes J for all values of x, an unphysical result, a nearest-neighbor range attraction renormalizes J only at very low dopings, i.e., until the bound holes wave functions start to overlap. Thus, our results indicate that the Coulomb attraction can be neglected to study
Using dynamical mean-field theory, we have evaluated the magnetic instabilities and T = 0 phase diagram of the double-exchange model on a Bethe lattice in infinite dimensions. In addition to ferromagnetic (FM) and antiferromagnetic (AF) phases, we also study a class of disordered phases with magnetic short-range order (SRO). In the weak-coupling limit, a SRO phase has a higher transition temperature than the AF phase for all fillings p below 1 and can even have a higher transition temperature than the FM phase. At T = 0 and for small Hund's coupling J H , a SRO state has lower energy than either the FM or AF phases for 0.26 ≤ p < 1. Phase separation is absent in the J H → 0 limit but appears for any non-zero value of J H .
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