Spin-reorientation transition and electronic structure of TmCo3 compound

The TmCo₃ compound crystallizes in the rhombohedral PuNi₃-type structure. TmCo₃ exhibits a kink in the resistivity and AC susceptibility near the spin-reorientation temperature (T_SR≅17 K). The spin-reorientation transition observed in TmCo₃ is ascribed to the competition between the anisotropies of Co and Tm atoms. The value of spontaneous magnetization is equal to 3.1 μ_B/f.u. and is closer to the value 3.31 μ_B/f.u. obtained by ab initio calculations, which show that the moments on Co atoms depend on their local environments.     

Electronic structure and magnetic properties of Gd3Co11B4 compound

The electronic structure of hexagonal Gd₃Co₁₁B₄ compound has been studied by X-ray photoemission spectroscopy (XPS) and ab initio self-consistent tight binding linear muffin tin orbital (TB LMTO) method. We have found a good agreement between the experimental XPS valence band spectra and theoretical LMTO calculations. Results showed that the Gd₃Co₁₁B₄ compound is ferrimagnetic with the calculated total magnetic moment M=14.29 μ_B/f.u. The values of the magnetic moments on Co atoms strongly depend on the local environment. We have also compared the electronic structure and magnetic properties of Gd₃Co₁₁B₄ compound with those of Nd₃Co₁₁B₄ compound.     

Superparamagnetic properties of C60Co3 complexes

Preparation of fullerites containing cobalt and analyses of reactions based on semiempirical quantum calculations are described. The magnetic properties of thermally treated C₆₀Co₃ samples: Curie constant (C≈3500 emu K/mol Oe) temperature and field dependencies of magnetization and nonequilibrium effects of magnetization are interpreted in terms of superparamagnetic blocking model of the compound.     

Magnetic properties of GdCo12B6 compound under high pressures

The effects of hydrostatic pressure up to 10 kbar on Curie temperature T_C, compensation temperature T_COMP and spontaneous magnetization M_S of ferrimagnetic GdCo₁₂B₆ compound have been studied. Two antiferromagnetically coupled sublattices that are carrying magnetization of typically 0.42 μ_B/Co atom and 7 μ_B/Gd cancel out at compensation temperature at about 50 K and magnetic ordering temperature T_C=163±2 K. The volume dependence of intrinsic magnetic properties of the GdCo₁₂B₆ compound has been determined by studying it under hydrostatic pressure. The observed increase of M_S with pressure (dM_S/dp=+0.005 μ_B kbar^?1 at 5 K) is attributed predominantly to the pressure induced decrease of Co magnetic moments. The crucial role of Co in this behavior is confirmed by the change of sign of the pressure slope at temperatures above T_COMP and by the fact that the estimated decrease of m_Co is also quite comparable with pressure induced decrease of M_S in YCo₁₂B₆ (dM_S/dp=?0.007 μ_B kbar^?1). The decrease of m_Co is also responsible for the increase of T_COMP with pressure (dT_COMP/dp=+0.06 K kbar^?1). The decrease of T_C with pressure (dT_C/dp=?0.55 K kbar^?1) is comparable to the decrease observed on RCo₁₂B₆ compounds with non-magnetic R and can be attributed to the volume dependence of Co–Co exchange interactions. The remarkable role of the hybridization as a consequence of small distances between Co and B atoms could be a background of this rather unexpected volume stability of magnetic properties.     

Spin and orbital magnetic moments and spin anisotropy energies of light rare earth atoms embedded in graphene: A first-principles study

The geometries, electronic structures, spin magnetic moments (SMMs), orbital magnetic moments (OMMs) and spin anisotropy energies (SAEs) of light rare earth atoms (La, Ce, Pr, Nd, Pm, Sm, Eu, and Gd) embedded in graphene were studied by using first-principles calculations based on Density Functional Theory (DFT). The spin-orbital coupling effect was taken into account and GGA+U method was adopted to describe the strongly localized and correlated 4f electrons. There is a significant deformation of the graphene plane after doping and optimization. The deformation of Gd doped graphene is the largest, while Eu the smallest. The results show that the valence is +3 for La, Ce, Pr, Nd, Pm, Sm and Gd, and +2 for Eu. Except Eu and Gd, there are obvious OMMs. When the spin is in the Z direction, the OMMs are −0.941 μ_B, −1.663 μ_B, −3.239 μ_B, −3.276 μ_B and −3.337 μ_B for Ce, Pr, Nd, Pm and Sm, respectively, and point the opposite direction of SMMs. All the doped systems except Gd show considerable SAEs. For Ce, Pr, Nd, Pm, Sm, and Eu, the SAEs are −0.928 meV, 20.941 meV, −8.848 meV, 7.855 meV, 75.070 meV and 0.810 meV, respectively. When the spin orientation is different, different orbital angular moments lead to apparent charge density difference of the 4f atoms, which can also explain the origin of SAEs.     

Magnetic and structural properties of the electrochemically deposited arrays of Co and CoFe nanowires

Magnetic and structural properties of the arrays of 18 nm diameter nanowires of Co and Co₉₀Fe₁₀ electrodeposited in the pores of anodic alumina are investigated. Arrays of Co and Co₉₀Fe₁₀ nanowires show perpendicular magnetic anisotropy and textured crystallographic behaviour. Coercivity H_c (⊥) and remanence M_r/M_s (⊥) values of 2275 Oe (Co₉₀Fe₁₀); 1188 Oe (Co) and 96% (Co₉₀Fe₁₀), 81% (Co) are observed. The continuous films of Co and Co₉₀Fe₁₀ on Cu substrates show in plane magnetic anisotropy and coercivity values between 109 and 288 Oe.     

Structural and electronic properties of cobalt carbide Co2C and its surface stability: Density functional theory study

Density functional theory calculations have been performed to investigate the structural and electronic properties of bulk Co₂C and the stability of low index Co₂C surfaces. We found that the formation of Co₂C is exothermic with the formation energy of ? 0.81 eV/Co₂C with respect to Co under the presence of syngas (mixture of CO and H₂). While formed Co₂C can be decomposed further to metal Co and graphite carbon with modest energy gain of 0.37 eV/Co₂C. This suggests that Co₂C is only metastable in Fischer–Tropsch synthesis, which agrees well with experimental findings. The density of states (DOSs) reveals that the Co₂C is paramagnetic and strong metallic-like. The difference of charge density analysis indicates that the bond of Co₂C is of the mixtures of metallic, covalent, and ionic properties. A variety of low index Co₂C surfaces with different terminations are studied. We find that the surface energy of low index stoichiometric Co₂C highly relies on the surface area, the number of coordination of surface atoms and the surface dipole, with the decreased stability order of (101) > (011) > (010) > (110) > (100) > (001) = (111). Our results indicate that under Co-poor condition, the formation of non ? stoichiometric surface (011) and (111) without terminated cobalt is energetically more favorable, while under Co-rich condition the formation of non ? stoichiometric (111) surface with cobalt overlayer are preferential.     

Interface characterization of a [Pt/Co)]3/IrMn multilayer by laser-assisted tomographic atom probe

A sputtered Ta_3 nm/[[Pt_2 nm/Co_0.4 nm)]₃/IrMn_7 nm]₇/Pt_10 nm multilayer has been analyzed by laser-assisted tomographic atom probe, allowing to perform three-dimensional reconstructions of the layers and to determine their chemical composition at the atomic scale. From the concentration profiles, we show that the Co layer in contact with IrMn is strongly mixed. The Co/IrMn and IrMn/Pt interfaces are thus non-symmetric, the Co/IrMn interface being more diffuse than the IrMn/Pt one. This study demonstrates that the LATAP technique is extremely well suited for atomic scale structural and chemical characterizations of magnetic multilayers in relationship with their magnetic properties.     

Structural and magnetic properties of BCC Fe/Co (0 0 1) superlattices

In thin layered Fe/Co (0 0 1), grown on MgO (0 0 1), both Fe and Co crystallize in the body-centered cubic (BCC) structure, as seen in a series of superlattices where the layer thickness of the components is varied from two to twelve atomic monolayers. These superlattices have novel magnetic properties as observed by magnetization and polarized neutron reflectivity measurements. There is a significant enhancement of the magnetic moments of both Fe and Co at the interfaces. Furthermore, the easy axis of the system changes from [1 0 0] for films of low cobalt content to [1 1 0] for a Co content exceeding 33%. No indication of a uniaxial anisotropy component is found in any of the samples. The first anisotropy constant (K₁) of BCC Co is found to be negative with an estimated magnitude of 110 kJ/m³ at 10 K. In all cases, the magnetic moments of Fe and Co have parallel alignment.     

Ab initio study of structural and magnetic properties of cubic Fe4N(0 0 1) surface

First-principles calculations are employed to study the structural and magnetic properties of fully-relaxed cubic Fe₄N(0 0 1) surfaces with both Fe₂- and Fe₂N-termination. The results of surface stability calculations show that the (0 0 1) surface of Fe₄N is most possibly existing with Fe₂N-termination. Slab structures have more localized features in the density of states especially for the Fe₂N-terminated surface due to structure relaxation. The average magnetic moments of Fe atoms increase with increasing thickness of slabs. The calculated interlayer distances indicate that the decreases of d₁₂ and d₂₃ result in stronger hybridization and shorter bond distances between Fe2 atom in the second layer and other atoms in surface or the third layers, which lead to variation of magnetic moments with different slab thicknesses.     

Tuning magnetism of monolayer GaN by vacancy and nonmagnetic chemical doping

In view of important role of inducing and manipulating the magnetism in 2D materials for the development of low-dimensional spintronic devices, the magnetism of GaN monolayer with Ga vacancy and nonmagnetic chemical doping are investigated using first-principles calculations. It is found that pure GaN monolayer has graphene-like structure and is nonmagnetic. While, a neutral Ga vacancy can induce 3 μ_B intrinsic magnetic moment, localized mainly on the neighboring N atoms. Interestingly, after one Mg or Si atom doping in g-GaN with Ga vacancy, the magnetic moment can be modified to 4 μ_B or 2 μ_B respectively due to the change in hole number. Meantime, Mg-doped g-GaN with Ga vacancy shows half-metal character. With the increasing of doping concentrations, the magnetic moment can be further tuned. The results are interesting from a theoretical point of view and may open opportunities for these 2D GaN based materials in magnetic devices.     

Antiferromagnetism of ThCr2Si2

Neutron diffraction measurements indicate that the magnetic moments of chromium atoms in the ThCr₂Si₂ compound show long-range order. The Cr magnetic moment equal to 1.20(25)μ_B at 1.5 K lie in the basal plane and form magnetic structure AFl-type.     

Hydrothermal synthesis and magnetic studies of transition metal nocerites M3(BO3)F3 (M=Fe,Co, Ni)

Polycrystalline samples of M₃(BO₃)F₃ (M=Fe, Co, Ni), isostructural with nocerite Mg₃(BO₃)(OH,F)₃, have been prepared in supercritical hydrothermal conditions. These compounds represent with boracites, M₃B₇O₁₃F (M=Mg, Cr, Mn, Fe, Co, Zn), the only transition metal fluoride borates known to date. Co₃(BO₃)F₃ and Ni₃(BO₃)F₃ are antiferromagnetic with T_N=17(2) and 40(2) K, respectively. Spin-flop transitions at B_C1=4.0 T and B_C2=7.5 T occur at 1.6 K in Co₃(BO₃)F₃, while a parasitic ferromagnetism (0.02 μ_B/Ni²⁺ at 1.6 K) appears below T_N in Ni₃(BO₃)F₃. The magnetic structures consist of three spin sub-lattices of double rutile-type ferromagnetic chains.     

Evidence of ferromagnetic domains in the perovskite La0.7Sr0.3Co0.9Mn0.1O3

The magnetic and electronic ground states of the polycrystalline perovskite compound La_0.7Sr_0.3Co_0.9Mn_0.1O₃ have been studied using AC susceptibility, resistivity and neutron depolarization techniques. Results of neutron depolarization study establish the existence of ferromagnetic domains of ∼3 μm size below 180 K. The substitution of 10 at% Mn ions at the Co site in the compound La_0.7Sr_0.3CoO₃ reduces the effective e_g electron transfer and suppresses the double exchange interaction. The competition between the reduced ferromagnetic double exchange interaction and the coexisting antiferromagnetic interaction along with the random nature of substitution leads to a randomly canted ferromagnetic ground state for the substituted compound. Resistivity study confirms that the randomly canted ferromagnetic ground state is insulating.     

Influence on magnetic properties of substitution of Co for Fe in TbFe11.3Nb0.7

The magnetic properties of Tb(Fe_1−xCo_x)_11.3Nb_0.7 compounds with x=0, 0.05, 0.1, 0.15, 0.2 and 0.3 have been investigated. All compounds studied crystallize in the ThMn₁₂-type of structure. Substitution of Co for Fe leads to a contraction of the unit-cell volume. The Curie temperature clearly increases with increasing Co content from 551 K for x=0 to 831 K for x=0.3. The magnetic moment of the transition-metal sublattice increases with increasing Co content from 22.2 μ_B/f.u. for x=0 to 23.1 μ_B/f.u. for x=0.3. As the temperature increases, a spin reorientation from easy-plane to easy-cone is found in all compounds investigated. The spin-reorientation temperatures T_sr have been derived from the temperature dependence of the magnetization in a low field and decrease monotonously with increasing Co content. The easy magnetization direction at room temperature has been determined by X-ray diffraction on magnetically-aligned powder samples. The influence of the substitution of Co for Fe on the magnetic anisotropy is discussed in terms of crystal-field theory.     

Effects of doping with nanoscale Co3O4 particles on the superconducting properties of powder-in-tube processed MgB2 tapes

Nanoscale Co₃O₄ particles were doped into MgB₂ tapes with the aim of developing superconducting wires with high-current-carrying capacity. Fe-sheathed MgB₂ tapes with a mono-core were prepared using the in situ powder-in-tube (PIT) process with the addition of 0.2–1.0 mol% Co₃O₄. The critical temperature decreased monotonically with an increasing amount of doped Co₃O₄ particles for all heat-treatment temperatures from 600 to 900 °C. However, the transport critical current density (J_c) at 4.2 K varied with the heat-treatment temperatures. The J_c values in magnetic fields ranging from 7 to 12 T decreased monotonically with increasing Co₃O₄ doping level for a heat-treatment temperature of 600 °C. In contrast, some improvements on the J_c values of the Co₃O₄ doped tapes were observed in the magnetic fields below 10 T for 700 and 800 °C. Furthermore, J_c values in all the fields measured increased as the Co₃O₄ doping level increase from 0 to 1 mol% for 900 °C. This heat-treatment temperature dependence of the J_c values could be explained in terms of the heat-treatment temperature dependence of the irreversibility field with Co₃O₄ doping.     

Nonlinear magnetoelastic effects in ultrathin epitaxial FCC Co(0 0 1) films:: an ab initio study

Those linear and nonlinear magnetoelastic coupling coefficients which determine the magnetostrictive stress and the strain-induced out-of-plane magnetic anisotropy in epitaxially grown FCC Co(0 0 1) films are calculated by the ab initio density functional electron theory. The nonlinear couplings have a strong effect on the change Δσ₁^m of the in-plane magnetostrictive stress resulting from a change of the magnetization direction from [0 1 0] to [1 0 0], but a negligibly small effect on the out-of-plane anisotropy e_MCA. The calculations confirm the experimental result that the measured out-of-plane anisotropy cannot be totally attributed to volume magnetoelastic effects. Estimates are given for the nonlinear magnetoelastic coupling coefficients m₁^γ,2 and m₂^γ,2.     

Magnetism in V/Co(0001) hcp interfaces: Density functional calculations

We investigate the magnetic properties of V/Co interfacial systems and adatoms within the density functional theory taking into account the structural relaxation. The hybridization between the V and Co orbitals results in a V magnetic moment induced by the surrounding Co atoms. The ground state V magnetic moment magnitudes range from ~ 0 to 2.17 μB/atom depending on the specific local environment.     

A comparative study of the magnetocaloric effect in Gd3Co and Gd3Ni

Magnetic and magnetocaloric properties of polycrystalline samples of Gd₃Co and Gd₃Ni have been studied. Both these compounds are antiferromagnets and undergo metamagnetic transitions in the antiferromagnetic phase. The Neel temperatures are found to be 128 and 99 K, respectively for Gd₃Co and Gd₃Ni. Though both these compounds have the same crystal structure, their magnetic structures seem to be different. It is found that Gd₃Ni possesses larger magnetic anisotropy compared to Gd₃Co. The maximum values of isothermal magnetic entropy change are 11 and 18.5 J Kg⁻¹ K⁻¹ for Gd₃Co and Gd₃Ni respectively, while their refrigerant capacities are 2.6 J cm⁻³ for both of them. Magnetic entropy change in the paramagnetic region shows a quadratic dependence on the magnetic field in the case of Gd₃Ni, indicating the presence of spin fluctuations above the Neel temperature.     

Magnetic properties of rare-earth transition metal aluminides R6T4Al43 with Ho6Mo4Al43-type structure

The magnetic properties of 53 aluminium-rich intermetallic compounds R₆T₄Al₄₃ with R=rare-earth elements and T=Ti, V, Nb, Ta, Cr, Mo, W were investigated using polycrystalline samples and a SQUID magnetometer in the temperature range from 2 to 300 K with magnetic flux densities up to 5.5 T. The yttrium and lutetium compounds are Pauli paramagnetic, indicating that the transition metal atoms do not carry magnetic moments. The samarium compounds show van Vleck behavior and antiferromagnetic order with Néel temperatures of less than 12 K. Of these Sm₆Ti₄Al₄₃ becomes metamagnetic. The ytterbium compounds show a mixed or intermediate valent behavior and no magnetic order down to 2 K. All other compounds obey the Curie–Weiss law above 30 K. Their effective magnetic moments correspond to the theoretical moments of the rare-earth ions. They show ferromagnetic or metamagnetic behavior with ordering temperatures all below 20 K. The magnetization curves of most compounds (recorded up to 5.5 T) reach about 50% of the theoretical magnetization already at 0.5 T. The gadolinium compounds are exceptional in that they reach at 0.5 T only about 10% of their theoretical magnetization. The crystal structures of the isotypic compounds Yb₆V₄Al₄₃ and Yb₆Ta₄Al₄₃ were refined from single-crystal X-ray data.