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.

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.

First-Principles Study of Magnetic Properties of 3d Transition Metals Doped in ZnO Nanowires

The defect formation energies of transition metals (Cr, Fe, and Ni) doped in the pseudo-H passivated ZnO nanowires and bulk are systematically investigated using first-principles methods. The general chemical trends of the nanowires are similar to those of the bulk. We also show that the formation energy increases as the diameter of the nanowire decreases, indicating that the doping of magnetic ions in the ZnO nanowire becomes more difficult with decreasing diameter. We also systematically calculate the ferromagnetic properties of transition metals doped in the ZnO nanowire and bulk, and find that Cr ions of the nanowire favor ferromagnetic state, which is consistent with the experimental results. We also find that the ferromagnetic coupling state of Cr is more stable in the nanowire than in the bulk, which may lead to a higher T (c) useful for the nano-materials design of spintronics.

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.

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-xCoxO films are nonconductive as x is no more than 17%. Our results clearly demonstrate that ferromagnetism can be realized in Zn1-xCoxO without carrier incorporation. (C) 2004 American Institute of Physics.

Optical and magnetic properties of ZnS nanoparticles doped with Mn2+

ZnS:Mn nanoparticles of the cubic zinc blende structure with the average sizes of about 3 nm were synthesized using a coprecipitation method and their optical and magnetic properties were investigated. Two emission bands were observed in doped nanoparitcles and attributed to the defect-related emission of ZnS and the Mn2+ emission, respectively. With the increase of Mn2+ concentration, the luminescence intensities of these two emission bands increased and the ZnS emission band shifted to lower energy. Based on the luminescence excitation spectra of Mn2+, the 3d(5) level structure of Mn2+ in ZnS nanoparticles is similar to that in bulk ZnS:Mn, regardless of Mn2+ concentration. Magnetic measurements showed that all the samples exhibit paramagnetic behavior and no antiferromagnetic interaction between Mn2+ ions exists, which are in contrast to bulk ZnS:Mn. (c) 2005 Elsevier B.V. All rights reserved.

Magnetic properties of Mn-implanted n-type Ge

Mn+ ions were implanted into n-type Ge(1 1 1) single crystal at room temperature at an energy of 100 keV with a dose of 3 x 10(16) cm(-2). Subsequent annealing was performed on the samples at 400 degreesC and 600 degreesC in a flowing nitrogen atmosphere. The magnetic properties of the samples have been investigated by alternating gradient magnetometer at room temperature. The compositional properties of the annealed samples were studied by Auger electron spectroscopy and the structural properties were analyzed by X-ray diffraction measurements. Magnetization measurements reveal room-temperature ferromagnetism for the annealed samples. The magnetic analysis supported by compositional and structural properties indicates that forming the diluted magnetic semiconductor (DMS) MnxGe1-x after annealing may account for the ferromagnetic behavior in the annealed samples. (C) 2004 Elsevier B.V. All rights reserved.

Magnetic properties of tin-doped magnetite nanoparticles

Structural and magnetic characteristics of Fe3-xSnxO4 (x < 0.3) nanoparticles synthesized using the precipitation exchange method have been investigated by X-ray diffraction, transmission electron microscope, Mossbauer spectra, X-ray photoelectron spectroscopy and magnetization measurement. The mean particle dimension decreases from 8 to 6 nm, the lattice parameters enlarge, the saturation magnetization decreases, as well as the magnetization and the coercive field increase, with increasing tin-content. The paramagnetic property of the specimens indicates that the replacement of Fe3+ by Sn4+ on the octahedral sites of Fe3O4 causes a progressive lowering of the Curie temperature and the Curie temperatures of the materials are all lower than that of crystallite tin-doped magnetite. This striking debasing is due to the lessening of the grain size. This is the smallest size reported thus far for paramagnetic tin-doped magnetite particles. (c) 2006 Elsevier B.V. All rights reserved.

Growth and magnetic properties of zincblende CrSb epilayers on relaxed and strained (In, Ga)As buffers

Zincblende CrSb (zb-CrSb) layers with room-temperature ferromagnetism have been grown on relaxed and strained (In,Ga)As buffer layers epitaxially prepared on (001) GaAs substrates by molecular-beam epitaxy. The structural characterizations of CrSb layers fabricated under the two cases are studied by using synchrotron grazing incidence x-ray diffraction (GID). The results of GID experiments indicate that no sign of second phase exists in all the zb-CrSb layers. Superconducting quantum interference device measurements demonstrate that the thickness of zb-CrSb layers grown on both relaxed and strained (In,Ga)As buffer layers can be increased to similar to 12 monolayers (similar to 3.6nm), compared to similar to 3 monolayers (similar to 1nm) on GaAs directly.

Magnetic properties of silicon doped with gadolinium

The magnetic semiconductor GdxSi1-x was prepared by low-energy dual ion-beam epitaxy. GdxSi1-x shows excellent magnetic properties at room temperature. A high magnetic moment of 10 mu(B) per Gd atom is observed. The high atomic magnetic moment is interpreted as being a result of the RKKY mechanism. The indirect exchange interaction between ions is strong at large distances due to the low state density of the carriers in the magnetic semiconductor.

Magnetic properties and rectifying behaviour of silicon doped with gadolinium

The magnetic/nonmagnetic p-n junction was prepared by implanting gadolinium into the n-type silicon with low-energy dual-ion-beam epitaxy technology. The magnetic layer GdxSi1-x shows excellent magnetic properties at room temperature. High magnetic moment 10mu(B) per Gd atom is observed, which is interpreted by RKKY mechanism. Magnetic/nonmagnetic p-n junctions show rectifying behaviour, but no magnetoresistance is observed.

Interlayer segregation of Cu atoms in Ta/NiFe/Cu/NiFe/FeMn/Ta spin-valve multilayers and its influence on magnetic properties

Experimental results show that the exchange coupling field (H-ex) of NiFe/FeMn for Ta/NiFe/FeMn/Ta multilayers is higher than that for spin-valve multilayers Ta/NiFe/Cu/NiFe/FeMn/Ta. In order to find out the reason, the composition and chemical states at the surface of Ta(12 nm)/NiFe(7 nm), Ta(12 nm)/NiFe(7 nm)/Cu(4 nm), and Ta(12 nm)/NiFe(7 nm)/Cu(3 nm)/NiFe(5 nm) were studied using x-ray photoelectron spectroscopy. The results show that no elements from lower layers float out or segregate to the surface in the first and second samples. However, Cu atoms segregate to the surface of Ta(12 nm)/NiFe(7 nm)/Cu(3 nm)/NiFe(5 nm) multilayers, i.e., Cu atoms segregate to the NiFe/FeMn interface for Ta/NiFe/Cu/NiFe/FeMn/Ta multilayers. We believe that the presence of Cu atoms at the interface of NiFe/FeMn is one of the important factors which causes the exchange coupling field (H-ex) of Ta/NiFe/Cu/NiFe/FeMn/Ta to be weaker than that of Ta/NiFe/FeMn/Ta. (C) 2002 American Institute of Physics.

Hard magnetic properties of Sm3Fe26.7VxN4 and Sm3Fe26.7VxCy

Sm3Fe26.7V2.3N4 nitrides and Sm3Fe26.7V2.3Cy carbides have been synthesized by gas-solid phase reaction. Their hard magnetic properties have been investigated by means of additional ball-milling at room temperature. The saturation magnetization of Sm3Fe26.7V2.3N4 almost decreases linearly with increasing ball-milling time t, but that of Sm3Fe26.7V2.3Cy has no obvious change when the ball-milling time increases from t = 1 to 28 h. As a preliminary result, the maximum remanence B-r of 0.94 and 0.88 T, the coercivity mu(0i)H(C) of 0.75 and 0.25 T, and the maximum energy product (BH) of 108.5 and 39.1 kJ/m(3) for their resin-bonded permanent magnets are achieved, respectively, by ball-milling at 293 K. (C) 1999 Published by Elsevier Science B.V. All rights reserved.

Crystallographic and magnetic properties of nitride R3Fe29-xCrxN4 (R = Y, Ca, Nd, Sm, Gd, Tb, and Dy)

A systematic investigation of crystallographic and magnetic properties of nitride R3Fe29-xCrxN4 (R=Y, Ce, Nd, Sm, Gd, Tb, and Dy) has been performed. The lattice constants and unit cell volume decrease with increasing rare earth atomic number from Nd to Dy, reflecting the lanthanide contraction. After nitrogenation the relative volume expansion of each nitride is around between 5% and 7%. The nitrogenation results in a good improvement in the Curie temperature, the saturation magnetization and anisotropy fields at 4.2 K, and room temperature for R3Fe29-xCrxN4. Magnetohistory effects of R3Fe29-xCrxN4 and R3Fe29-xCrx (R=Nd and Sm) are observed in a low field of 0.04 T. First order magnetization process occurs in Sm3Fe24.0Cr5.0N4 in magnetic fields of 2.8 T at 4.2 K. After nitrogenation, the easy magnetization direction of Sm3Fe24.0Cr5.0 is changed from the easy-cone structure to the uniaxial. The good intrinsic magnetic properties of Sm3Fe24.0Cr5.0N4 make this compound a hopeful candidate for new high-performance hard magnets. (C) 1998 American Institute of Physics.

Formation and magnetic properties of Fe16N2 films prepared by ion-beam-assisted deposition

Fe-N films containing the Fe16N2 phase were prepared in a high-vacuum system of ion-beam-assisted deposition (IBAD). The composition and structure of the films were analysed by Auger electron spectroscopy (AES) and X-ray diffraction (XRD), respectively. Magnetic properties of the films were measured by a vibrating sample magnetometer (VSM). The phase composition of Fe-N films depend sensitively on the N/Fe atomic arrival ratio and the deposition temperature. An Fe16N2 film was deposited successfully on a GaAs (1 0 0) substrate by IBAD at a N/Fe atomic arrival ratio of 0.12. The gram-saturation magnetic moment of the Fe16N2 film obtained is 237 emu/g at room temperature, the possible cause has been analysed and discussed. Hysteresis loops of Fe16N2 have been measured, the coercive force H-c is about 120 Oe, which is much larger than the value for Fe, this means the Fe16N2 sample exhibits a large uniaxial magnetocrystalline anisotropy. (C) 1998 Elsevier Science B.V. All rights reserved.