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

Optical Conductivity of Ferromagnetic Semiconductors

The dynamical mean field method is used to calculate the frequency and temperature dependent conductivity of dilute magnetic semiconductors. Characteristic qualitative features are found distinguishing weak, intermediate, and strong carrier-spin coupling and allowing quantitative determination of important parameters defining the underlying ferromagnetic mechanism

Electronic structures of doped anatase TiO2\rm TiO_{2}: Ti1−xMxO2\rm Ti_{1-x}M_{x}O_{2} (M=Co, Mn, Fe, Ni)

We have investigated electronic structures of a room temperature diluted magnetic semiconductor : Co-doped anatase $\rm TiO_{2}$. We have obtained the half-metallic ground state in the local-spin-density approximation(LSDA) but the insulating ground state in the LSDA+$U$+SO incorporating the spin-orbit interaction. In the stoichiometric case, the low spin state of Co is realized with the substantially large orbital moment. However, in the presence of oxygen vacancies near Co, the spin state of Co becomes intermediate. The ferromagnetisms in the metallic and insulating phases are accounted for by the double-exchange-like and the superexchange mechanism, respectively. Further, the magnetic ground states are obtained for Mn and Fe doped $\rm TiO_{2}$, while the paramagnetic ground state for Ni-doped $\rm TiO_{2}$.Comment: 5 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