First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO

Using first-principles band structure methods, we have systematically studied the electronic structures, magnetic stabilities, and half-metal properties of 3d transition-metal (TM) doped Rocksalt MgO compounds TMMg3O4 (TM = V, Cr, Mn, Fe, Co, and Ni). The calculations reveal that only CrMg3O4 has a ferromagnetic stability among the six compounds, which is explained by double-exchange mechanism. The magnetic stability is affected by the doping concentration of TM if the top valance band is composed of partially occupied t(2g) states. In addition, CrMg3O4 is a half-metallic ferromagnet. The origins of half-metallic and ferromagnetic properties are explored. The Curie temperature (T-c) of CrMg3O4 is 182 K. And it is hard for CrMg3O4 to deform due to the large bulk modulus and shear modulus, so it is a promising spintronic material. Our calculations provide the first available information on the magnetic properties of 3d TM-doped MgO.

Origins of magnetism in transition metal doped Cul

Cupric iodide is a p-type semiconductor and has a large band gap. Doping of Mn, Co, and Ni are found to make gamma-CuI ferromagnetic ground state, while Cr-doped and Fe-doped CuI systems are stabilized in antiferromagnetic configurations. The origins of the magnetic ordering are demonstrated successfully by the phenomenological band coupling model based on d-d level repulsions between the dopant ions. Furthermore, using a molecular-orbital bonding model, the electronic structures of the doped CuI are well understood. According to Heisenberg model, high-T-C may be expected for CuI:Mn and CuI:Ni if there are no native defects or other impurities.

Magnetism and luminescence evolution due to nitrogen doping in manganese-gallium oxide nanowires

We report a new method for large-scale production of GaMnN nanowires, by annealing manganese-gallium oxide nanowires in flowing ammonia at high temperature. Microstructure analysis indicates that the GaMnN nanowires have wurtzite GaN structure without Mn precipitates or Mn-related second phases. Magnetism evolution due to nitrogen doping in manganese-gallium oxide nanowires was evaluated by magnetic measurements. Magnetic measurement reveals that the magnetization increases with the increase of nitrogen concentration. Ferromagnetic ordering exists in the GaMnN nanowires, whose Curie temperature is above room temperature. Luminescence evolution was investigated by the cathodoluminesence measurement for a single nanowire and photoluminescence measurement in a temperature range between 10 and 300 K. Experimental results indicate that optical properties can be modulated by nitrogen doping in manganese-gallium oxide nanowires. (c) 2005 Elsevier B.V. All rights reserved.

Magnetism and photoluminescence in manganese-gallium oxide nanowires with monoclinic and spinel structures

Manganese-gallium oxide nanowires were synthesized via in situ Mn doping during nanowire growth using a vapor phase evaporation method. The microstructure and composition of the products were characterized via transmission electron microscopy (TEM), field emission scanning electron microscopy (SEM), X-ray diffraction (XRD) and Raman spectroscopy. The field and temperature dependence of the magnetization reveal the obvious hysteresis loop and large magnitude of Curie-Weiss temperature. The photoluminescence of the manganese-gallium oxide nanowires were studied in a temperature range between 10 and 300 K. A broad green emission band was observed which is attributed to the T-4(1)-(6)A(1) transition in Mn2+ (3d(5)) ions. (c) 2005 Elsevier B.V. All rights reserved.

First-principles investigation of the electronic structure and magnetism of eskolaite

The electronic structure and magnetism of eskolaite are studied by using first-principles calculations where the on-site Coulomb interaction and the exchange interaction are taken into account and the LSDA+U method is used.The calculated energies of magnetic configurations are very well fitted by the Heisenberg Hamiltonian with interactions in five neighbour shells; interaction with two nearest neighbours is found to be dominant. The Neel temperature is calculated in the spin-3/2 pair-cluster approximation. It is found that the measurements are in good agreement with for the values of U and J that are close to those obtained within the constrained occupation method.The band gap is of the Mott-Hubbard type.

Competitions of magnetism and superconductivity in FeAs-based materials

Using the numerical unrestricted Hartree-Fock approach, we study the ground state of a two-orbital model describing newly discovered FeAs-based superconductors. We observe the competition of a (0, π) mode spin-density wave and the superconductivity as the doping concentration changes. There might be a small region in the electron-doping side where the magnetism and superconductivity coexist. The superconducting pairing is found to be spin singlet,orbital even, and coexisting sxy + dx~2-y~2 wave (even parity).

Studies on the magnetism of cobalt ferrite nanocrystals synthesized by hydrothermal method

Fe-Co/CoFe2O4 nanocomposite and CoFe2O4 nanopowders were prepared by the hydrothermal method. The structure of magnetic powders were characterized by X-ray diffraction diffractometer (XRD), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), thermal gravity analysis (TGA) and differential thermal analysis (DTA) analysis, X-ray photoelectron spectrometry (XPS), and Fourier transform infrared spectra (FTIR) techniques, while magnetic properties were determined by using a vibrating sample magnetometer (VSM) at room temperature.

Glass transition and crystallization process of hard magnetic bulk Nd60Al10Fe20Co10 metallic glass

Glass transition and crystallization process of bulk Nd60Al10Fe20Co10 metallic glass were investigated by means of dynamic mechanical thermal analysis (DMTA), differential scanning calorimetry (DSC), X-ray diffraction (XRD) and scanning electronic microscopy (SEM). It is shown that the glass transition and onset crystallization temperature determined by DMTA at a heating rate of 0.167 K/s are 480 and 588 K respectively. The crystallization process of the metallic glass is concluded as follows: amorphous alpha-->alpha' + metastable FeNdAl novel phase -->alpha' + primary delta phase-->primary delta phase + eutectic delta phase Nd3Al phase + Nd3Co phase. The appearance of hard magnetism in this alloy is ascribed to the presence of amorphous phase with highly relaxed structure. The hard magnetism disappeared after the eutectic crystallization of amorphous phase.

Glass Transition and Thermal Stability of Hard Magnetic Bulk NdAlFeCo Metallic Glass

Glass transition and thermal stability of bulk Nd60Al10Fe20Co10 metallic glass were investigated by means of dynamic mechanical thermal analysis (DMTA), differential scanning calorimetry (DSC), X-ray diffraction (XRD) and scanning electronic microscopy (SEM). The glass transition temperature, not revealed by DSC, is alternatively determined by DMTA via storage modulus E' and loss modulus E" measurement to be 498 K at a heating rate of 0.167 K s (-1). The calculated reduced glass transition temperature (T-g/T-m) is 0.63. The large value of T-g/T-m of this alloy is consistent with its good glass-forming ability. The crystallization process of the metallic glass is concluded as follows: amorphous --> amorphous + metastable FeNdAl phase --> amorphous + primary delta-FeNdAl phase --> primary delta-phase + eutectic delta-phase + Nd3Al + Nd3Co. The appearance of hard magnetism in this alloy is ascribed to the presence of amorphous phase with highly relaxed structure. The hard magnetism disappeared after the eutectic crystallization of the amorphous phase. (C) 2002 Elsevier Science B.V. All rights reserved.

Enhancement of ferromagnetic properties in In1.99Co0.01O3 by additional Cu doping

This paper reports room-temperature ferromagnetism in Co- and Cu-doped In2O3 samples synthesized by a solid-state reaction method. Structure and composition analyses revealed that Co and Cu were incorporated into the In2O3 lattices. Photoluminescence measurement revealed an additional emission at 520 urn from these doped samples. The magnetic measurement showed that additional Cu doping greatly enhanced the ferromagnetism of In1.99Co0.01O3 bulk samples. The implication of the effects of additional Cu doping is also discussed. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Domain wall resistance in perpendicular (Ga,Mn) As: Dependence on pinning

We have investigated the domain wall resistance for two types of domain walls in a (Ga,Mn)As Hall bar with perpendicular magnetization. A sizeable positive intrinsic DWR is inferred for domain walls that are pinned at an etching step, which is quite consistent with earlier observations. However, much lower intrinsic domain wall resistance is obtained when domain walls are formed by pinning lines in unetched material. This indicates that the spin transport across a domain wall is strongly influenced by the nature of the pinning.

Easy axis reorientation and magneto-crystalline anisotropic resistance of tensile strained (Ga,Mn)As films

We present a study of magnetic anisotropy by using magneto-transport and direct magnetization measurements on tensile strained (Ga,Mn)As films. The magnetic easy axis of the films is in-plane at low temperatures, while the easy axis flips to out-of-plane when temperature is raised or hole concentration is increased. This easy axis reorientation is explained qualitatively in a simple physical picture by Zeners pd model. In addition, the magneto-crystalline anisotropic resistance was also investigated experimentally and theoretically based on the single magnetic domain model. The dependence of sheet resistance on the angle between the magnetic field and [1 0 0] direction was measured. It is found that the magnetization vector M in the single-domain state deviates from the external magnetic field H direction at low magnetic field, while for high magnetic field, M continuously moves following the field direction, which leads to different resistivity function behaviors.

Properties of exchange interaction in Yb3Fe5O12 under extreme conditions

In Yb3Fe5O12, the exchange effective field can be expressed as H-eff = -lambda center dot center dot center dot M-Fe = -lambda chi(eff)center dot center dot center dot H-e = -gamma center dot center dot center dot H-e where gamma is named as the exchange field parameter and H-e is the external magnetic field. Then, in this paper, by the discussions on the characteristics of the exchange field parameter gamma, the properties of exchange interaction in ytterbium iron garnet (Yb3Fe5O12) are analyzed under extreme conditions (high magnetic fields and low temperatures). Our theory suggests that the exchange field parameter gamma is the function of the temperatures under different external magnetic fields, and gamma = a+b center dot center dot center dot T+c center dot center dot center dot T-2, where the coefficients a, b, c are associated with the external magnetic fields and the magnetized directions. Thus, the temperature-dependence, field-dependence and anisotropic characteristics of the exchange interaction in Yb3Fe5O12 are revealed. Also, excellent fits to the available experiments are obtained. (C) 2009 Elsevier B.V. All rights reserved.

Influence of growth temperature on structural and magnetic characterization of (In, Cr)As quantum dots

(In, Cr)As ferromagnetic semiconductor quantum dots (QDs) were grown by molecular beam epitaxy on GaAs (001) substrates. The growth temperature effects on structure and magnetism of the QDs were investigated systematically. The Cr(2+)3d(4) states and quantum confined effect are assumed to play an important role in the room-temperature ferromagnetism of (In, Cr)As QDs. (C) 2009 Elsevier B.V. All rights reserved.

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.