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.

Thermodynamic properties of Cu-3(CO3)(2)(OH)(2) and the spin-1/2 distorted diamond Heisenberg chain

The thermodynamic properties of the spin-1/2 diamond quantum Heisenberg chain model have been investigated by means of the transfer matrix renormalization group (TMRG) method. Considering different crystal structures, by changing the interactions among different spins and the external magnetic fields, we first investigate the magnetic susceptibility, magnetization, and specific heat of the distorted diamond chain as a model of ferrimagnetic spin systems. The susceptibility and the specific heat show different features for different ferromagnetic (F) and antiferromagnetic (AF) interactions and different magnetic fields. A 1/3 magnetization plateau is observed at low temperature in a magnetization curve. Then, we discuss the theoretical mechanism of the double-peak structure of the magnetic susceptibility and the three-peak structure of the specific heat of the compound Cu-3(CO3)(2)(OH)(2), on which an elegant measurement was performed by Kikuchi [Phys. Rev. Lett. 94, 227201 (2005)]. Our computed results are consistent with the main characteristics of the experimental data. Meanwhile, we find that the double-peak structure of susceptibility can be found in several different kinds of spin interactions in the diamond chain. Moreover, a three-peak behavior is observed in the TMRG results of magnetic susceptibility. In addition, we perform calculations relevant for some experiments and explain the characteristics of these materials. (c) 2007 American Institute of Physics.

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.

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.

Systematic investigation on the influence of the As-4 flux on the magnetic property of (In,Cr)As quantum dots

We study the structure, optical and magnetic characteristics of self-assembled (In,Cr) As diluted magnetic semiconductor quantum dots as a function of the As-4 flux. Increasing the surface energy by increasing the As4 pressure leads to a smaller number of larger dots for a higher As-4 flux. The remanent magnetization measured at 5K also increases with increasing As-4 flux, which is attributed to the enhancement of the effective Cr content due to the As-4-rich condition. We explore the possibility of tailoring magnetism by controlling the As-4/In flux ratio without changing the Cr concentration. Furthermore, extremely low-density QDs have also been successfully grown. Copyright (C) EPLA, 2008

Magnetic properties of ZnO-doped cobalt ferrite

The cobalt ferrites with chemical composition Co1+xZnxFe2-2xO4 (r=0.0, 0.1, 0.2, 0.4) were obtained with conventional solid reaction. The ZnO-doped samples have lower lattice constant than CoFe2O4 by adjusting Co ions to the octahedral sites. The results show that doping ZnO could extremely improve the magnetic properties. In comparison with pure CoFe2O4, the little ZnO-doped sample has higher permeability and much lower coercivity at the condition of a little decrease of magnetization saturation. Sample with x=0.1 shows evident magnetostrictive effect at the magnetic field of 30-60 mT while pure cobalt ferrite sample does not, though the saturation magnetostriction decreases. These indicate that ZnO-doping improves the magnetostrictive sensitivity of the cobalt ferrites and have potential applications in magnetoelectric devices and magnetic detector.

Ballistic electron transport in hybrid ferromagnet/two-dimensional electron gas sandwich nanostructure: Spin polarization and magnetoresistance effect

We have theoretically investigated ballistic electron transport through a combination of magnetic-electric barrier based on a vertical ferromagnet/two-dimensional electron gas/ferromagnet sandwich structure, which can be experimentally realized by depositing asymmetric metallic magnetic stripes both on top and bottom of modulation-doped semiconductor heterostructures. Our numerical results have confirmed the existence of finite spin polarization even though only antisymmetric stray field B-z is considered. By switching the relative magnetization of ferromagnetic layers, the device in discussion shows evident magnetoconductance. In particular, both spin polarization and magnetoconductance can be efficiently enhanced by proper electrostatic barrier up to the optimal value relying on the specific magnetic-electric modulation. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3041477]

Origin and Enhancement of Hole-Induced Ferromagnetism in First-Row d(0) Semiconductors

The origin of ferromagnetism in d(0) semiconductors is studied using first-principles methods with ZnO as a prototype material. We show that the presence of spontaneous magnetization in nitrides and oxides with sufficient holes is an intrinsic property of these first-row d(0) semiconductors and can be attributed to the localized nature of the 2p states of O and N. We find that acceptor doping, especially doping at the anion site, can enhance the ferromagnetism with much smaller threshold hole concentrations. The quantum confinement effect also reduces the critical hole concentration to induce ferromagnetism in ZnO nanowires. The characteristic nonmonotonic spin couplings in these systems are explained in terms of the band coupling model.

Structural, morphological, and magnetic characteristics of Cu-implanted nonpolar GaN films

Diluted magnetic nonpolar GaN:Cu films have been fabricated by implanting Cu ions into unintentionally doped nonpolar a-plane(1 1 (2) over bar 0) GaN films and a subsequent thermal annealing process. The structural, morphological and magnetic characteristics of the samples have been investigated by means of high-resolution X-ray diffraction (HRXRD), atomic force microscopy (AFM), and superconducting quantum interference device (SQUID). The sample shows a clear ferromagnetism behavior at room temperature. It is significantly shown that with a Cu concentration as low as 0.75% the sample exhibits a saturation magnetization about 0.65 mu(B)/Cu atom. Moreover, the possible origin of the ferromagnetism for the sample was also discussed briefly. (C) 2009 Elsevier B. V. All rights reserved.

The impact of implantation dose on the characteristics of diluted-magnetic nonpolar GaN:Cu films

Diluted-magnetic nonpolar GaN:Cu films have been fabricated by implanting Cu ions into p-type nonpolar a-plane (1120) GaN films with a subsequent thermal annealing process. The impact of the implantation dose on the structural. morphological and magnetic characteristics of the samples have been investigated by means of high-resolution X-ray diffraction (HRXRD). atomic force microscopy (AFM), and superconducting quantum interference device (SQUID). The XRD and AFM analyses show that the structural and morphological characteristics of samples deteriorated with the increase of implantation dose. According to the SQUID analysis. obvious room-temperature ferromagnetic properties of samples were detected. Moreover, the saturation magnetization per Cu atom decreased as the implantation dose increased. (C) 2009 Elsevier B.V. All rights reserved.

Structural and magnetic properties of insulating Zn1-xCoxO thin films

Cobalt-doped ZnO (Zn1-xCoxO) thin films were fabricated by reactive magnetron cosputtering. The processing conditions were carefully designed to avoid the occurrence of Co precipitations. The films are c-axis oriented, and the solubility limit of Co in ZnO is less than 17%, determined by x-ray diffraction. X-ray photoemission spectroscopy measurements show Co ions have a chemical valance of 2+. In this paper, hysteresis loops were clearly observed for Zn1-xCoxO films at room temperature. The coercive field, as well as saturation magnetization per Co atom, decreases with increasing Co content, within the range of 0.07

Electronic structure and optical property of semiconductor nanocrystallites

Semiconductor nanostructures show many special physical properties associated with quantum confinement effects, and have many applications in the opto-electronic and microelectronic fields. However, it is difficult to calculate their electronic states by the ordinary plane wave or linear combination of atomic orbital methods. In this paper, we review some of our works in this field, including semiconductor clusters, self-assembled quantum dots, and diluted magnetic semiconductor quantum dots. In semiconductor clusters we introduce energy bands and effective-mass Hamiltonian of wurtzite structure semiconductors, electronic structures and optical properties of spherical clusters, ellipsoidal clusters, and nanowires. In self-assembled quantum dots we introduce electronic structures and transport properties of quantum rings and quantum dots, and resonant tunneling of 3-dimensional quantum dots. In diluted magnetic semiconductor quantum dots we introduce magnetic-optical properties, and magnetic field tuning of the effective g factor in a diluted magnetic semiconductor quantum dot. (C) 2004 Elsevier B.V. All rights reserved.

Formation of ferromagnetic clusters in GaAs matrix and GaAs/AlGaAs superlattice through Mn ion implantation at two different temperatures

Different submicron ferromagnets are fabricated into GaAs and GaAs/AlGaAs superlattice through ion implantation at two different temperatures followed by thermal annealing. The structural and magnetic properties of the granular film are studied by an atomic force microscope, X-ray diffraction and alternating gradient magnetometer. By analyzing the saturation magnetization M-s, remanence M-r, coercivity H-c and remanence ratio S-q, it is confirmed that both MnGa and MnAs clusters are formed in the 350degreesC-implanted samples whereas only MnAs clusters are formed in the room-temperature implanted samples. (C) 2004 Elsevier B.V. All rights reserved.

Mean-field study of Fe2+- and Co2+-doped diluted magnetic semiconductors

Based on a modified mean-field model, we calculate the Curie temperatures of Fe2+- and Co2+-doped diluted magnetic semiconductors (DMSs) and their dependence on the hole concentration. We find that the Curie temperatures increase with an increase in hole concentration and the relationship T(C)proportional to p(1/3) also approximately holds for Fe2+- and Co2+-doped systems with moderate hole concentration. For either low or high hole concentrations, however, the p(1/3) law is violated due to the anomalous magnetization of the Fe2+ and Co2+ ions, and the nonparabolic nature of the hole bands. Further, the values of T-C for Fe2+- and Co2+-doped DMSs are significantly higher than those for Mn2+-doped DMSs, due to the larger exchange interaction strength.

A nanowire magnetic memory cell based on a periodic magnetic superlattice

We analyse the operation of a semiconductor nanowire-based memory cell. Large changes in the nanowire conductance result when the magnetization of a periodic array of nanoscale magnetic gates, which comprise the other key component of the memory cell, is switched between distinct configurations by an external magnetic field. The resulting conductance change provides the basis for a robust memory effect, which can be implemented in a semiconductor structure compatible with conventional semiconductor integrated circuits.