Effect of oxygen vacancy defect on the magnetic properties of Co-doped ZnO

The influence of oxygen vacancy on the magnetism of Co-doped ZnO has been investigated by the first-principles calculations.It is suggested that oxygen vacancy and its location play crucial roles on the magnetic properties of Co-doped ZnO.The exchange coupling mechanism should account for the magnetism in Co-doped ZnO with oxygen vacancy and the oxygen vacancy is likely to be close to the Co atom.The oxygen vacancy (doping electrons) might be available for carrier mediation but is localized with a certain length and can strengthen the ferromagnetic exchange interaction between Co atoms.     

Chemisorption of Fe on Au-passivated Si（001） surface

The chemisorption of one monolayer of Fe atoms on a Au-passivated Si(001) surface is studied by using the self-consistent tight-binding linear muffin-tin orbital method. The Fe adatom chemisorption on an ideal Si(001) surface is also considered for comparison. The chemisorption energy and layer projected density of states for a monolayer of Fe atoms on Au-passivated Si(001) surface are calculated and compared with that of the Fe atoms on an ideal Si(001) surface. The charge transfer is investigated. It is found that the most stable position is at the fourfold hollow site for the adsorbed Fe atoms, which might sit below the Au surface. Therefore there will be a Au－Fe mixed layer at the Fe/Au－Si(100) interface. It is found that the adsorbed Fe atoms cannot sit below the Si surface, indicating that a buffer layer of Au atoms may hinder the intermixing of Fe atoms and Si atoms at the Fe/Au－Si(001) interface effectively, which is in agreement with the experimental results.     

Electronic structures and magnetism of Fe nanowires on Cu（001） and Ag（O01）： A first-principles study

The electronic structures and magnetism of Fe nanowires along the [110] direction on Cu（001） and Ag（001） [Fe（nw）/Cu（001） and Fe（nw）/Ag（001）] are investigated by using the all-electron full-potential linearized augmented plane wave method in the generalized gradient approximation. It is found that the magnetic moment of Fe atom for the Fe（nw）/Cu（001） is 2.99#B, which is slightly smaller than that （3.02μB） for the Fe（nw）/Ag（001） but much larger than that （2.22μB） for the bcc iron. The great enhancement of magnetic moment in the Fe nanowires can be explained by the Fe d-band narrowing and enhancement of the spin-splitting due to a reduction in coordination number, From the calculated spin-polarized layer-projected density of states, it is found that the Fe 3d-states are strongly hybridized with the adjacent Cu 3d-states in the Fe（nw）/Cu（001）, and there exists a strong hybridization between the Fe sp-and the adjacent Ag 4d-states in the Fe（nw）/Ag（001）.     

Metal-Insulator Transition in CuIr2（S1-xTex）4

The resistivity and magnetization for the CuIr2（S1-xTex）4 （0≤x≤ 0.10） system are investigated. Compared with the Se doping, the substitution of Te for S leads to stronger suppression on the metal-insulator transition. Vacancies and imperfections in the sample lattice are found to modify the magnetization, which can be qualitatively understood to consist of the Pauli paramagnetism, Landau diamagnetism, Larmor diamagnetism and Curie magnetism contributions.     

The effect of Pd doped in Ru layer on theinterlayer coupling in Co／RuPd multilayers

2.0nmCo/tnmRu层间反磁铁耦合 磁性录音 振动交换 添加效应2.0nmCo/tnmRu1-xPdx multilayers with x=0, 0.05, 0.08, 0.24, 0.39 and 0.48 were prepared by magnetron sput-tering. The spacer layer thickness of both Ru (before doping Pd) and RuPd (after doping Pd) varies from 0.2nm to 1.6nm. Two effects have been investigated: (1) the dependence of the interlayer coupling on the thickness of Ru1-xPdx as a function of x and (2) the dependence of the interlayer coupling on Pd doping density, x, as a function of thickness of Ru1-xPdx. Our results indicate that the interlayer coupling is strongly dependent on the doping density and the spacer layer thickness. The saturation field Hs increases when very low concentration of Pd doped in the Ru layers and a suitable spacer thickness are adopted.     

First principles study on the magnetocrystalline anisotropy of Fe--Ga magnetostrictive alloys

This paper investigates the electronic structure and magnetocrystalline anisotropy of Fe--Ga magnetostrictive material by means of the full potential-linearized augmented plane-wave method within the generalized gradient approximation. The 3d-orbit splitting of Fe atoms in D0₃, B2-like and L1₂ crystalline structures of Fe--Ga is calculated with consideration of the crystal field as well as the spin--orbit coupling effect. Because of the frozen orbital angular momenta of the 3d-orbit for Fe atoms in Fe--Ga magnetostrictive alloys and the spin--orbit coupling, the distribution of the electron cloud is not isotropic, which leads to the anisotropy of exchange interaction between the different atoms. A method on estimating the magnetocrystalline anisotropy of Fe--Ga alloys by means of calculating orbit-projected density of states for Fe atoms is performed. The anisotropic distribution of the electron cloud of Fe atoms in these three crystalline structures of Fe--Ga is studied based on the above method showing the highest magnetic anisotropy for B2-like structure. This qualitative method comes closer to physical reality with a vivid physical view, which can evaluate the anisotropy of electron cloud for 3d transition atoms directly. The calculated results are in good agreement with both the previous theoretical computation and the tested value on the magnetic anisotropy constant, which confirms that the electron cloud anisotropy of Fe atoms could well characterize the magnetocrystalline anisotropy of Fe--Ga magnetostrictive material.     

Influence of the Jahn—Teller distortion on magnetic ordering in TbMn1-xFexO3

The Jahn-Teller distortion plays an important role in determining the exchange interaction in rare-earth manganites.In this work we study the influence of the Jahn-Teller distortion on the magnetic structures of TbMn1-xFexO3（x = 0,0.02,0.05,0.10,and 0.20） single crystals in the basal MnO2 plane.The decrease in the quadruple splitting with the increasing Fe doping indicates the reduction of the Jahn-Teller distortion,which makes the nearest neighboring（NN） FM interaction dominant over the next nearest neighbor（NNN） AFM interaction.This alteration is favorable for the development of A-type AFM ordering instead of the spiral magnetic ordering,which collapses when x ≥ 0.05.The analysis of dielectric data indicates that the ferroelectricity is arising from the peculiar spiral magnetic ordering.     

Magneto-optical effect of TEB30A liquid crystal doped with thulium oxides

The influences of an external magnetic field on the optical properties of the TEB30A nematic liquid crystal doped with thulium oxides （Gd203, Dy203, Nd203, Y203, and Sm203） are studied. It is shown that a magnetic field applied parallelly to the sample cell surface leads to the rotational orientation of mesogenes. All samples except for the sample doped with Sm203 nanoparticles undergo structural deformations. The behavior of the TEB30A/Sm203 differs from those of the TEB30A liquid crystal doped with other four nanoparticles. The presence of Sm203 nanoparticles in the TEB30A liquid crystal does not cause the structural deformation of the liquid crystal matrix. At the same time, the anchoring type of the liquid crystal molecules on the nanoparticle surface is different. The director n is parallel to the magnetic moment/~ in the TEB30A/Sm203, and inclined to the magnetic moment/~ in the TEB30A/Nd203, and perpendicular to the magnetic moment/~ in each of TEB30A/Gd203, TEB30A/Dy203, and TEB30A/Y203. Besides, the dependence of the structural deformation on the critical magnetic field for the TEB30A is obtained.     

Electronic structure of Yb/H－Si (111) interface

Photoemission spectra are measured for Yb covered surface of wet-chemically-etched H－Si (111). The results reveal that the lattice structure of the H－Si (111) surface is stable against the deposition of Yb atoms. X-ray photoemission spectra indicate the formation of a polarized (dipole) surface layer, with the silicon negatively charged. Ultraviolet photoemission spectra exhibit the semiconducting property of the interface below one monolayer coverage. Work function variation during the formation of the Yb/H－Si (111) interface is measured by the secondary-electron cutoff in the ultraviolet photoemission spectral line. The largest decrease of work function is ～1.65eV. The contributions of the dipole surface layer and the band bending to the work function change are determined to be ～1.15eV and ～0.5eV, respectively. The work function of metal Yb is determined to be ～2.80±0.05eV.     

Role of Ga-doping in iron-gallium alloy clusters

The structural and magnetic properties of Fe_n-m Ga_m （n=3 ～ 6,m=0 ～ 2;n=13,m=0 ～ 3） alloy clusters have been studied using density functional theory.The substitutional doping is favourable for small clusters with up to six atoms at low Ga concentration and substitutional Ga atoms in 13-atom clusters prefer surface sites.The Ga-doping generally could reduce the energetic stability but enhance the electronic stability of Fe clusters,along with a decrease of the local magnetic moments of Fe atoms around Ga dopants.These findings provide a microscopic insight into Fe-Ga alloys which are well-known magnetostriction materials.     

Martensitic transformation and giant magnetic entropy change in Ni_(42.8)Mn_(40.3)Co_(5.7)Sn_(11.2) alloy

The crystal structure, phase transition, and magnetocaloric effect in Ni42.8Mn40.3Co5.7Sn11.2 alloy are investigated by structure analysis and magnetic measurements. A large magnetic entropy change of 45.6 J/kg.K is obtained at 215 K under a magnetic field of 30 kOe （1 Oe = 79.5775 A.m-1）. The effective refrigerant capacity of Ni42.8Mn40.3Co5.7Sn11.2 alloy reaches 72.1 J/kg under an applied field changing from 0 to 30 kOe. The external magnetic field shifts the martensitic transition temperature about 3-4 K/10 kOe towards low temperature, indicating that magnetic field can retard the phase transition to a certain extent. The origin of large magnetic entropy change is discussed in the paper.     

Emergent reversible giant electroresistance in spacially confined La_(0.325)Pr_(0.3)Ca_(0.375)MnO_3 wires

Micro-patterning is considered to be a promising way to analyze phase-separated manganites. We investigate resistance in micro-patterned La0.325Pr0.3Ca0.375MnO3 wires with width of 10 μm, which is comparable to the phase separation scale in this material. A reentrant of insulating state at the metal–insulator temperature Tp is observed and a giant resistance change of over 90% driven by electric field is achieved by suppression of this insulating state. This resistance change is mostly reversible. The I–V characteristics are measured in order to analyze the origin of the giant electroresistance and two possible explanations are proposed.     

Phase transition and thermal expansion property of Cr_(2-x)Zr_(0.5x)Mg_(0.5x)Mo_3O_(12) solid solution

Compounds with the formula Cr2-xZr0.5xMg0.5xMo3O12（x = 0.0, 0.3, 0.5, 0.9, 1.3, 1.5, 1.7, 1.9） are synthesized, and the effects of Zr4＋ and Mg2＋ co-incorporation on the phase transition, thermal expansion, and Raman mode are investigated. It is found that Cr2-xZr0.5xMg0.5xMo3O12 crystallize into monoclinic structures for x 〈 1.3 and orthorhombic structures for x _〉 1.5 at room temperature. The phase transition temperature from a monoclinic to an orthorhombic structure of Cr2Mo3O12 can be reduced by the partial substitution of （ZrMg）6＋ for Cr3＋. The overall linear thermal expansion coefficient decreases with the increase of the （ZrMg）6＋ content in an orthorhombic structure sample. The co-incorporation of Zr4＋ and Mg2＋ in the lattice results in the occurrence of new Raman modes and the hardening of the symmetric vibrational modes, which are attributed to the MoO4 tetrahedra sharing comers with ZrO6/MgO6 octahedra and to the strengthening of Mo-O bonds due to less electronegativities of Zr4＋ and Mg2＋ than Cr3＋, respectively.     

Tuning the phase separation in La_(0.325)Pr_(0.3)Ca_(0.375)MnO_3 using the electric double-layer field effect

Electric double-layer field effect experiments were performed on ultrathin films of La0.325Pr0.3Ca0.375MnO3, which is noted for its micrometer-scale phase separation. A clear change of resistance up to 220% was observed and the characteristic metal–insulator transition temperature TPwas also shifted. The changes of both the resistance and TPsuggest that the electric field induced not only tuning of the carrier density but also rebalancing of the phase separation states. The change of the charge-ordered insulating phase fraction was estimated to be temperature dependent, and a maximum of 16% was achieved in the phase separation regime. This tuning effect was partially irreversible, which might be due to an oxygen vacancy migration that is driven by the huge applied electric field.     

Structural and physical properties of BiFeO3 thin films epitaxially grown on SrTiO3（001） and polar（111） surfaces

The influence of surface polarity on the structural properties of BiFeO3 （BFO） thin films is investigated. BFO thin films are epitaxially grown on SrTiO3 （STO） （100） and polar （111） surfaces by oxygen plasma-assisted molecular beam epitaxy. It is shown that the crystal structure, surface morphology, and defect states of BFO films grown on STO substrates with nonpolar （001） or polar （111） surfaces perform very differently. BFO/STO （001）is a fully strained tetragonal phase with orientation relationship （001）[100]BFOII（001）[100]STO, while BFO/STO （111） is a rhombohedral phase. BFO/STO （111） has rougher surface morphology and less defect states, which results in reduced leakage current and lower dielectric loss. Moreover, BFO films on both STO （001） and STO （111） are direct band oxides with similar band gaps of 2.65 eV and 2.67 eV, respectively.     

Influence of magnetic layer thickness on[Fe_(80)Ni_(20) O/SiO_2]_n multilayer thin films

In the present work, a series of [Fe80Ni20–O/SiO2]n multilayer thin films is fabricated using a reactive magnetron sputtering equipment. The thickness of SiO2 interlayer is fixed at 3 nm, while the thickness values of Fe80Ni20–O magnetic films range from 10 nm to 30 nm. All films present obvious in-plane uniaxial magnetic anisotropy. With increasing the Fe80Ni20–O layer thickness, the saturation magnetization increases slightly and the coercivity becomes larger due to the enlarged grain size, which could weaken the soft magnetic property. The results of high frequency magnetic permeability characterization show that films with thin magnetic layer are more suitable for practical applications. When the thickness of Fe80Ni20–O layer is 10 nm, the multilayer film exhibits the most comprehensive high-frequency magnetic property with a real permeability of 300 in gigahertz range.     

Topological structure of the solitons solution in SU（3） Dunne-Jackiw-Pi-Trugenberger model

By using C-mapping topological current theory and gauge potential decomposition, we discuss the self-dual equation and its solution in the SU（N） Dunne-Jackiw-Pi-Trugenberger model and obtain a new concrete self-dual equation with a δ function. For the SU（3） case, we obtain a new self-duality solution and find the relationship between the soliton solution and topological number which is determined by the Hopf index and Brouwer degree of C-mapping. In our solution, the flux of this soliton is naturally quantized.     

Second-order Born calculation of coplanar symmetric(e, 2e) process on Mg

The second-order distorted wave Born aPl6roximation （DWBA） method is employed to investigate the triple differen- tial cross sections （TDCS） of coplanar doubly symmetric （e, 2e） collisions for magnesium at excess energies of 6 eV-20 eV. Comparing with the standard first-order DWBA calculations, the inclusion of the second-order Born term in the scattering amplitude improves the degree of agreement with experiments, especially for backward scattering region of TDCS. This indicates that the present second-order Born term is capable to give a reasonable correction to DWBA model in studying coplanar symmetric （e, 2e） problems of two-valence-electron target in low energy range.     

In-plane optical spectral weight redistribution in the optimally doped Ba_(0.6)K_(0.4)Fe_2As_2 superconductor

We performed detailed temperature-dependent optical measurements on optimally doped Ba0.6K0.4Fe2As2 single crystal, We examine the changes of the in-plane optical conductivity spectral weight in the normal state and the evolution of the superconducting condensate in the superconducting state. In the normal state, the low-frequency spectral weight shows a metallic response with an arctan （T） dependence, indicating a T-linear scattering rate behavior for the carriers. A high energy spectral weight transfer associated with the Hund＇s coupling occurs from the low frequencies below 4000 cm^-1 5000 cm^-1 to higher frequencies up to at least 104 cm^-1. Its temperature dependence analysis suggests that the Hund＇s coupling strength is continuously enhanced as the temperature is reduced. In the superconducting state, the FGT sum rule is conserved according to the spectral weight estimation within the conduction bands, only about 40% of the conduction bands participates in the superconducting condensate indicating that Ba0.6K0.4Fe2As2 is in dirty limit.