Carrier induced ferromagnetism in diluted local-moment systems

The electronic and magnetic properties of concentrated and diluted ferromagnetic semiconductors are investigated by using the Kondo lattice model, which describes an interband exchange coupling between itinerant conduction electrons and localized magnetic moments. In our calculations, the electronic problem and the local magnetic problem are solved separately. For the electronic part an interpolating self-energy approach together with a coherent potential approximation (CPA) treatment of a dynamical alloy analogy is used to calculate temperature-dependent quasiparticle densities of states and the electronic self-energy of the diluted local-moment system. For constructing the magnetic phase diagram we use a modified RKKY theory by mapping the interband exchange to an effective Heisenberg model. The exchange integrals appear as functionals of the diluted electronic self-energy being therefore temperature- and carrier-concentration-dependent and covering RKKY as well as double exchange behavior. The disorder of the localized moments in the effective Heisenberg model is solved by a generalized locator CPA approach. The main results are: 1) extremely low carrier concentrations are sufficient to induce ferromagnetism; 2) the Curie temperature exhibits a strikingly non-monotonic behavior as a function of carrier concentration with a distinct maximum; 3) $T_C$ curves break down at critical $n/x$ due to antiferromagnetic correlations and 4) the dilution always lowers $T_C$ but broadens the ferromagnetic region with respect to carrier concentration.Comment: 11 pages, 5 figure

Half-metallic diluted antiferromagnetic semiconductors

The possibility of half-metallic antiferromagnetism, a special case of ferrimagnetism with a compensated magnetization, in the diluted magnetic semiconductors is highlighted on the basis of the first principles electronic structure calculation. As typical examples, the electrical and magnetic properties of II-VI compound semiconductors doped with 3d transition metal ion pairs--(V, Co) and (Fe, Cr)--are discussed

Coordination Dependence of Hyperfine Fields of 5sp Impurities on Ni Surfaces

We present first-principles calculations of the magnetic hyperfine fields H of 5sp impurities on the (001), (111), and (110) surfaces of Ni. We examine the dependence of H on the coordination number by placing the impurity in the surfaces, on top of them at the adatom positions, and in the bulk. We find a strong coordination dependence of H, different and characteristic for each impurity. The behavior is explained in terms of the on-site s-p hybridization as the symmetry is reduced at the surface. Our results are in agreement with recent experimental findings.Comment: 4 pages, 3 figure

Transition temperature of ferromagnetic semiconductors: a dynamical mean field study

We formulate a theory of doped magnetic semiconductors such as Ga$_{1-x}$Mn$_x$As which have attracted recent attention for their possible use in spintronic applications. We solve the theory in the dynamical mean field approximation to find the magnetic transition temperature $T_c$ as a function of magnetic coupling strength $J$ and carrier density $n$. We find that $T_c$ is determined by a subtle interplay between carrier density and magnetic coupling.Comment: 4 pages, 4 figure

Photoemission studies of Ga1−x_{1-x}Mnx_{x}As: Mn-concentration dependent properties

Using angle-resolved photoemission, we have investigated the development of the electronic structure and the Fermi level pinnning in Ga$_{1-x}$Mn$_{x}$As with Mn concentrations in the range 1--6%. We find that the Mn-induced changes in the valence-band spectra depend strongly on the Mn concentration, suggesting that the interaction between the Mn ions is more complex than assumed in earlier studies. The relative position of the Fermi level is also found to be concentration-dependent. In particular we find that for concentrations around 3.5--5% it is located very close to the valence-band maximum, which is in the range where metallic conductivity has been reported in earlier studies. For concentration outside this range, larger as well as smaller, the Fermi level is found to be pinned at about 0.15 eV higher energy.Comment: REVTeX style; 7 pages, 3 figure

Electronic structure, exchange interactions and Curie temperature in diluted III-V magnetic semiconductors: (GaCr)As, (GaMn)As, (GaFe)As

We complete our earlier (Phys. Rev. B, {\bf 66}, 134435 (2002)) study of the electronic structure, exchange interactions and Curie temperature in (GaMn)As and extend the study to two other diluted magnetic semiconductors (GaCr)As and (GaFe)As. Four concentrations of the 3d impurities are studied: 25%, 12.5%, 6.25%, 3.125%. (GaCr)As and (GaMn)As are found to possess a number of similar features. Both are semi-metallic and ferromagnetic, with similar properties of the interatomic exchange interactions and the same scale of the Curie temperature. In both systems the presence of the charge carriers is crucial for establishing the ferromagnetic order. An important difference between two systems is in the character of the dependence on the variation of the number of carriers. The ferromagnetism in (GaMn)As is found to be very sensitive to the presence of the donor defects, like As$_{\rm Ga}$ antisites. On the other hand, the Curie temperature of (GaCr)As depends rather weakly on the presence of this type of defects but decreases strongly with decreasing number of electrons. We find the exchange interactions between 3d atoms that make a major contribution into the ferromagnetism of (GaCr)As and (GaMn)As and propose an exchange path responsible for these interactions. The properties of (GaFe)As are found to differ crucially from the properties of (GaCr)As and (GaMn)As. (GaFe)As does not show a trend to ferromagnetism and is not half-metallic that makes this system unsuitable for the use in spintronic semiconductor devices

Carrier induced ferromagnetism in diluted magnetic semi-conductors

We present a theory for carrier induced ferromagnetism in diluted magnetic semi-conductor (DMS). Our approach treats on equal footing quantum fluctuations within the RPA approximation and disorder within CPA. This method allows for the calculation of $T_c$, magnetization and magnon spectrum as a function of hole, impurity concentration and temperature. It is shown that, sufficiently close to $T_c$, and within our decoupling scheme (Tyablicov type) the CPA for the itinerant electron gas reduces to the Virtual Crystal Approximation. This allows, in the low impurity concentration and low density of carriers to provide analytical expression for $T_c$. For illustration, we consider the case of $Ga_{1-c}Mn_{c}As$ and compare our results with available experimental data.Comment: 5 figures included. to appear in Phys. Rev. B (brief report

The local magnetic moments and hyperfine magnetic fields in disordered metal-metalloid alloys

The local magnetic moments and hyperfine magnetic fields (HFF) in the ordered alloys Fe_{15}Sn and Fe_{15}Si are calculated with the first-principles full-potential linear augmented plane wave (FP LAPW) method. The results are compared with the experimental data on Fe-M (M=Si, Sn) disordered alloys at small metalloid concentration. The relaxation of the lattice around the impurity and its influence on the quantities under consideration are studied. The mechanism of the local magnetic moment formation is described. It is proved that the main distinction between these alloys is connected with the different lattice parameters. Three contributions to the HFF are discussed: the contributions of the core and valence electron polarization to the Fermi-contact part, and the contibution from the orbital magnetic moment.Comment: 3 pages, 3 figures, submitted to Phys. Rev.

Surface Half-Metallicity of CrAs in the Zinc-Blende Structure

The development of new techniques such as the molecular beam epitaxy have enabled the growth of thin films of materials presenting novel properties. Recently it was made possible to grow a CrAs thin-film in the zinc-blende structure. In this contribution, the full-potential screened KKR method is used to study the electronic and magnetic properties of bulk CrAs in this novel phase as well as the Cr and As terminated (001) surfaces. Bulk CrAs is found to be half-ferromagnetic for all three GaAs, AlAs and InAs experimental lattice constants with a total spin magnetic moment of 3 $\mu_B$. The Cr-terminated surface retains the half-ferromagnetic character of the bulk, while in the case of the As-termination the surface states destroy the gap in the minority-spin band.Comment: 4 pages, 2 figures, new text, new titl