First-principles study of the electronic structures and magnetic properties of 3d transition metal-doped anatase TiO2

We study the electronic structures and magnetic properties of the anatase TiO2 doped with 3d transition metals (V, Cr, Mn, Fe, Co, Ni), using first-principles total energy calculations based on density functional theory (DFT). Using a molecular-orbital bonding model, the electronic structures of the doped anatase TiO2 are well understood. A band coupling model based on d-d level repulsions between the dopant ions is proposed to understand the chemical trend of the magnetic ordering. Ferromagnetism is found to be stabilized in the V-, Cr-, and Co-doped samples if there are no other carrier native defects or dopants. The ferromagnetism in the Cr- and Co-doped samples may be weakened by the donor defects. In the Mn-, and Fe-doped samples, the ferromagnetism can be enhanced by the acceptor and donor defects, respectively.

Temperature dependence of effective g factor in diluted magnetic semiconductor (Ga,Mn)As

Time resolved magneto-optic Kerr rotation measurements of optically induced spin quantum beats are performed on heavily doped bulk (Ga,Mn)As diluted magnetic semiconductors (DMS). An effective g-factor of about 0.2-0.3 over a wide range of temperature for both as-grown and annealed (Ga,Mn)As samples is obtained. A larger effective g-factor at lower temperature and an increase of the spin relaxation with increasing in-plane magnetic field are observed and attributed to the stronger p-d exchange interaction between holes and the localized magnetic ion spins, leading to a larger Zeeman splitting and heavy-hole-light-hole mixing. An abnormal dip structure of the g-factor in the vicinity of the Curie temperature suggests that the mean-field model is insufficient to describe the interactions and dynamics of spins in DMS because it neglects the short-range spin correlation effect. (c) 2008 American Institute of Physics.

Spin states and persistent currents in a quantum ring with an embedded magnetic impurity

Spin states and persistent currents are investigated theoretically in a quantum ring with an embedded magnetic ion under a uniform magnetic field including the spin-orbit interactions. The magnetic impurity acts as a spin-dependent delta-potential for electrons and results in gaps in the energy spectrum, consequently suppressing the oscillation of the persistent currents. The competition between the Zeeman splittings and the s-d exchange interaction leads to a transition of the electron ground state in the ring. The interplay between the periodic potential induced by the Rashba and Dresselhaus spin-orbit interactions and the delta-potential induced by the magnetic impurity leads to significant variation in the energy spectrum, charge density distribution, and persistent currents of electrons in the ring.

Growth parameter dependence of magnetic property of CrAs thin film

This paper has systematically investigated the substrate temperature and thickness dependence of surface morphology and magnetic property of CrAs compound films grown on GaAs by molecular-beam epitaxy. It finds that the substrate temperature affects the surface morphology and magnetic property of CrAs thin film more potently than the thickness.

Magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO: First-principles calculations

The electronic structure and magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO have been investigated using first-principles methods. We show that the magnetic coupling between Gd or Nd ions in the nearest neighbor sites is ferromagnetic. The stability of the ferromagnetic coupling between Gd ions can be enhanced by appropriate electron doping into ZnO Gd system and the room-temperature ferromagnetism can be achieved. However, for ZnO Nd system, the ferromagnetism between Nd ions can be enhanced by appropriate holes doping into the sample. The room-temperature ferromagnetism can also be achieved in the n-conducting ZnO Nd sample. Our calculated results are in good agreement with the conclusions of the recent experiments. The effect of native defects (V-Zn, V-O) on the ferromagnetism is also discussed. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3176490]

Mn-AlInN: a new diluted magnetic semiconductor

Mn ions have been incorporated into MOCVD grown Al1-x In (x) N/GaN thin films by ion implantation to achieve the room temperature ferromagnetism in the samples. Magnetic characterizations revealed the presence of two ferromagnetic transitions one has Curie points at similar to 260 K and the other above room temperature. In-diffusion of indium caused by the Mn implantation leads to the partition of AlInN epilayer into two diluted magnetic semiconductor sub-layers depending on the Mn concentration. The Curie temperature of 260 K is assigned to the layer having lower concentration, whereas T (c) above room temperature is assumed to be associated to the layer having higher Mn concentration.

Anisotropy of magnetic properties in ferrimagnetic ytterbium iron garnet under high magnetic fields

The magnetic anisotropy in ytterbium iron garnet (YbIG) is theoretically investigated under high magnetic fields (up to 160 kOe). According to the crystal field effect in ytterbium gallium garnet (YbGaG), a detailed discussion of crystal-field interaction in YbIG is presented where a suitable set of crystal-field parameters is obtained. Meanwhile, the influences of nine crystal-field parameters on the crystal-field energy splitting are analyzed. On the other hand, considering the ytterbium-iron (Yb-Fe) superexchange interaction of YbIG, the spontaneous magnetization is calculated at different temperatures for the [111] direction. In particular, we demonstrate that the Wesis constant lambda is the function of 1/T in YbIG. In addition, the field dependences of the magnetization for the [110] and [111] directions are theoretically described where a noticeable anisotropy can be found. Our theory further confirms the great contribution of anisotropic Yb-Fe superexchange interaction to the anisotropy of the magnetization in YbIG. Moreover, our theoretical results are compared with the available experiments.

Strain and magnetic anisotropy of as-grown and annealed Fe films on c(4x4) reconstructed GaAs (001) surface

Fe films with the different thicknesses were grown on c(4x4) reconstructed GaAs (001) surfaces at low temperature by molecular-beam epitaxy. Well-ordered bcc structural Fe epitaxial films are confirmed by x-ray diffraction patterns and high-resolution cross-sectional transmission electron microscopy images. A large lattice expansion perpendicular to the surface in Fe film is observed. In-plane uniaxial magnetic anisotropy is determined by the difference between magnetizing energy along [110] and [110] directions, and the constant of interfacial uniaxial magnetic anisotropy is calculated to be 1.02x10(-4) J m(-2). We also find that magnetic anisotropy is not obviously influenced after in situ annealing, but in-plane strain is completely changed.

Structural and Magnetic Properties of Sm Implanted GaN

The structural and magnetic properties of Sm ion-implanted GaN with different Sm concentrations are investigated. XRD results do not show any peaks associated with second phase formation. Magnetic investigations performed by superconducting quantum interference device reveal ferromagnetic behavior with an ordering temperature above room temperature in all the implanted samples, while the effective magnetic moment per Sm obtained from saturation magnetization gives a much higher value than the atomic moment of Sm. These results could be explained by the phenomenological model proposed by Dhar et al. [Phys. Rev. Lett. 94(2005) 037205, Phys. Rev. B 72(2005) 245203] in terms of a long-range spin polarization of the GaN matrix by the Sm atoms.