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Physical properties of polycrystalline ferroelectrics including the contributions of the fixed dipolar defects and the average grain size in the Potts-Ising model are simulated by using the Monte Carlo method. Domain pattern, hysteresis loop and switching current of the polarization reversal process are obtained. Two processes are considered in our simulation. In the first one, the grain texture of ferroelectric ceramics are produced from the Potts model, and then the Ising model is implemented in the obtained polycrystalline texture to produce the domain pattern, hysteresis loop and switching current. It is concluded that the defect has the ability to decrease the remnant polarization Pr as well as the coercive field Ec. The back switching is obviously observed after the electric field is off, and it shows some variation after introducing the fixed dipolar defect. Meanwhile, the spike of the switching current is found to lower with the increasing defect concentration and the decreasing average grain size.

We investigate the variations from as-deposited Zn1−xCoxO magnetic semiconductors to the post-annealed Co–ZnCoO granular composite. The as-deposited Zn1−xCoxO magnetic semiconductor deposited under thermal non-equilibrium conditions is composed of Zn1−xCoxO nanograins of high Co concentration. The room-temperature ferromagnetism with high magnetization and large negative magnetoresistance are found in the as-deposited samples. By annealing, the samples become of granular composite consisting of the Co metal grains and the remanent Zn1−xCoxO matrix. Although the magnetization is enhanced after annealing, the spin-dependent negative magnetoresistance disappears at room temperature. The magnetoresistance observed in the annealed samples in the high field region has no relation with the ferromagnetism, which in turn indicates that the room-temperature ferromagnetism and large negative magnetoresistance observed in the as-deposited are the intrinsic properties of the Zn1−xCoxO magnetic semiconductor.

We prepare 2×(NiFe/CoZnO)/ZnO/(CoZnO/Co)×2 spin valve structures used for spin injection by sputtering and photolithography. In the junctions, the free magnetic layer 2×(NiFe/CoZnO) and the fixed magnetic layer (CoZnO/Co)×2 are used to realize the spin valve functions in the external switch magnetic field. Since the wide gap semiconductor ZnO layer is located between the two magnetic semiconductor layers CoZnO, the electrical spin injection from the magnetic semiconductor CoZnO into the non-magnetic semiconductor ZnO is realized. Based on the measured magnetoresistance and the Schmidt model, the spin polarization ratio in the ZnO semiconductor is deduced to be 11.7% at 90 K and 7.0% at room temperature, respectively.

Magnetic multilayers [Co-Nb(1.5 or 3.6 nm)/Pd(x nm)]40 were fabricated by radio frequency sputtering synthesis. The structures and magnetic properties of the Co-Nb/Pd multilayers were studied by x-ray diffraction, vibrating sample magnetometer, torque magnetometer and ferromagnetic resonance measurements. The oscillatory dependence of the phase structure, the strain, the ferromagnetic interlayer coupling and the spacer polarization of multilayers on the increase of Pd spacer thickness was observed. The relationship among phase structure, strain, interlayer coupling and the polarization of Pd spacers was discussed. The magnetic polarization of Pd spacers will enhance the ferromagnetic coupling between magnetic layers and will restrain antiferromagnetic coupling to occur. The spin-dependent electron transport along the normal direction of multilayers and its exchange interaction play key roles in causing these oscillatory behaviors.

Magnetic multilayers [Co(1.5 nm)/Pd(x nm)]40 grown by rf sputtering were studied by x-ray diffraction, vibrating sample magnetometer, torque magnetometer and magnetoresistance measurements. The dependences of the interfacial roughness and the structure perfectness of Co/Pd multilayers on the spacer Pd layer thickness have been revealed from x-ray diffraction data. An oscillatory variation of saturation magnetization versus the thickness of the Pd spacer was observed. A similar oscillatory behavior in the dependence of its magnetic anisotropy on the thickness of the Pd spacer was observed. It is suggested from these two phenomena that the magnetic polarization of Pd spacers oscillates between ferromagnetic and antiferromagnetic polarization with the increase of Pd spacer thickness under a RKKY-like interaction. Evidence is found for the antiferromagnetic polarization of the inner-part of the Pd spacer. The antiferromagnetic coupling between two Co layers and giant magnetoresistance effect in Co/Pd multilayer system were not observed. The relationship among structure, interlayer coupling and magnetic polarization effect of the Pd spacer was discussed.

An oscillatory behavior in specific saturation magnetization of Fe/Pd multilayers is observed. The conversion electron Mossbauer spectroscopy and other experiments indicate that this behavior is caused by the magnetic polarization of Pd spacers, which alternates between positive and negative polarization with respect to the magnetic moments of Fe layers. The interlayer coupling between two Fe layers always keeps ferromagnetic. Then, the interlayer couplings in ferromagnetic metal/nearly ferromagnetic metal multilayers were calculated by using the model of Barnas. The results of calculation prove that the above phenomenon might appear under some condition. The influence of magnetic polarization potential of spacers and interface chemical potential on the interlayer couplings is also discussed.

Chemical adsorption and desorption of hydrogen atoms on single-walled carbon nanotubes (SWNTs) are investigated by using molecular dynamics simulations. It is found that the adsorption and desorption energy of hydrogen atoms depend on the hydrogen coverage and the diameter of the SWNTs. Hydrogen-adsorption geometry at the coverage of 1.0 is more energetically stable. The adsorption energy decreases with the increasing diameter of the armchair tubes. The adsorption and desorption energy of hydrogen atoms can be modified reversibly by externally radial deformation. The averaged C-H bond energy on the high curvature sites of the deformed tube increases with increasing radial deformation, while that on the low curvature sites decreases.

Nanogranular Fe0.35/(In2O3)0.65 films with complex magnetic structure were prepared by the rf sputtering method. An extra-large magnetoresistance up to 506% was obtained at 2.2 K, which is two orders of magnitude larger than that obtained at room temperature. This is related to the interaction with the impurities influencing the local magnetization, which is quite different from the spin-dependent tunnelling effect at room temperature. The interspacing Fe atoms dispersed in the In2O3 matrix play an important role in the transportation properties of carriers at low temperature.

A new approach is developed to calculate temperature dependent Seebeck coefficient of heavily doped systems by using Boltzmann transport theory and electron density of states (DOS) obtained from density functional calculations. This approach is applied to heavily doped La:STO with DOS from tetrahedral method and Fermi energy using Fermi integrals. The calculated Seebeck coefficient agrees with the experimental data nearly quantitatively, which proved the accuracy of this approach. The influence of the Fermi energy and asymmetry of DOS on the Seebeck coefficient is analyzed., Comment: 19 pages, 4 figures

The first-principles calculations are employed to investigate the stability, magnetic, and electrical properties of the oxide heterostructure of LaAlO3/SrTiO3 (110). By comparing their interface energies, it is obtained that the buckled interface is more stable than the abrupt interface. This result is consistent with experimental observation. At the interface of LaAlO3/SrTiO3 (110) heterostructure, the Ti—O octahedron distortions cause the Ti t2g orbitals to split into the two-fold degenerate dxz/dyz and nondegenerate dxy orbitals. The former has higher energy than the latter. The partly filled two-fold degenerate t2g orbitals are the origin of two-dimensional electron gas, which is confined at the interface. Lattice mismatch between LaAlO3 and SrTiO3 leads to ferroelectric-like lattice distortions at the interface, and this is the origin of spin-splitting of Ti 3d electrons. Hence the magnetism appears at the interface of LaAlO3/SrTiO3 (110).

We give a brief introduction to the oxide (ZnO, TiO2, In2O3, SnO2, etc.)-based magnetic semiconductors from fundamental material aspects through fascinating magnetic, transport, and optical properties, particularly at room temperature, to promising device applications. The origin of the observed ferromagnetism is also discussed, with a special focus on first-principles investigations of the exchange interactions between transition metal dopants in oxide-based magnetic semiconductors.

Fe-doped In2O3 films are grown epitaxially on YSZ (100) substrates by pulsed laser deposition. The in-situ reflection high-energy electron diffraction, the atomic force microscopy, and the x-ray diffraction patterns show that the films have a well defined cubic structure epitaxially oriented in the (100) direction. Room temperature ferromagnetism is observed by an alternating gradient magnetometer. Strong perpendicular magnetic anisotropy with a remnant magnetization ratio of 0.83 and a coercivity of 2.5kOe is revealed. Both the structural and the magnetic measurements suggest that this ferromagnetism is an intrinsic property deriving from the spin-orbit coupling between the diluted Fe atoms.

Zn1−xFexO inhomogeneous oxide magnetic semiconductor films with high Fe concentration are prepared by sputtering, and fast annealing is carried out at different temperatures. It is found that magnetic properties are greatly modulated by controlling the composition inhomogeneity and subsequently fast annealing. Both ferromagnetic and paramagnetic components are found to coexist in the as-deposited Zn1−xFexO magnetic semiconductor. In particular, the antiferromagnetic coupling between the neighbouring local ferromagnetic regions is found in the as-deposited Zn0.23Fe0.77 O film, and the antiferromagnetic coupling strength increases with increasing temperature from 110 K to 300 K. We believe that this unusual antiferromagnetic coupling is mediated by thermally activated hopping carriers.

The possibility of forming cascading energy levels in SrTiO3 by doping Bi and Cu as an example is analyzed by using the density-functional-theory based first principles calculations of the electronic structure. The results show that both Bi doping and Cu doping can introduce a defect level in the forbidden band，and Co-doping of Bi and Cu can introduce two defect levels in the forbidden band. Electrons at the top of valence band can transit to the bottom of conduction band through a cascade transition process. Using the nonradiative transition model，we point out that the probability of electronic transition from the valence band to the conduction band through a cascade transition is much higher than that of direct transition from the valence band to the conduction band. The cascade transitions can effectively increase the carrier concentration in the conduction band.

Spin density wave in organic ferromagnets with open ends was studied and the results were compared with that in a closed organic ferromagnet ring. It was found that an end-open chain structure is unfavorable for the formation of the ferromagnetic ground. The competition of electron-electron interactions and the π-electron-radical spin couplings and their different effect on the SDW in the main chain were discussed.