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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.

Polaron tunnelling is studied in xPA/nPPP/xPA (PA for polyacetylene and PPP poly (p-phenylene)) triblock copolymer, which has a well–barrier–well structure. An extended tight-binding Hamiltonian including external electric field is adopted. Without electric field, the injected electrons would not extend over the whole copolymer chain but instead be confined in the segments of PA. This is different from the behaviour of the traditional semiconductors. It is found that the polaron can transfer to the potential barrier-PPP segment when the applied electric field reaches a certain value. The critical polaron tunnelling electric fields depend upon the lengths of PPP segments.

A tight-binding calculation to describe the triblock copolymer xPA(polyacetylene)/nPPP (poly(p-phenylene))/yPA or xPPP/nPA/yPPP is presented. The interfacial coupling between homopolymer segments is attributed to the hopping of π-electrons and the coupling of σ-bonds. The dependence of the band gap of triblock copolymers on the interfacial couplings or on the composite segment lengths is studied. The influence of composite segment lengths on the electron density is also studied. For nPPP/xPA/nPPP structures, the band gap varies with PA segment length over a wide range of 1.32-2.74eV. For nPA/xPPP/nPA structures, the band gap is invariant with PPP segment length. It is found that a spontaneous tunnelling phenomenon could take place in nPA/xPPP/nPA structures. Furthermore, the polaron caused by doping an electron into nPA/xPPP/nPA will tend to be confined in one of the well (PA) parts. This kind of confinement may increase the electron-hole recombination probability.

The persistent current and transmission of two connected Aharonov–Bohm rings coupled to external leads are solved analytically. The conditions on which we may observe persistent current, zero or perfect transmission as well as Fano resonance are studied.

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.

[ZnO(0.5 nm)/Co(0.6 nm)]60 multilayers were fabricated by magnetron sputtering. The magnetic, transport and optical properties were studied. The ferromagnetic state at low temperature was demonstrated. Most of the grains in the samples will be unblocked when temperature is below 50 K. The measured magneto-resistance at 4.8 K is higher than 30%. This value is larger than any other reported data. The transport mechanism may come down to a combination of tunnelling conduction with the second-order hopping. Some small peaks on transmittance curves were found, the matter is still open.

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.

Calculations of the magnetic domain structure (domain wall energy density, domain wall thickness, domain width and critical diameter of single domain particles) in Nd 2 Fe 14 B have been made by using its intrinsic parameters (lattice constants, magnetic moments of the atoms, Curie temperature, spontaneous magnetization and magneto-crystalline anisotropy constant). The four stages of magnetization reversal processes in oriented sintered Nd-Fe-B magnet after saturation magnetization along its easy direction are studied in detail in this paper. The results show that the nucleation of the reverse-magnetization nuclei in the surface layer of the grains of hard magnetic phase Nd 2 Fe 14 B, as well as the irreversible domain wall motion from the surface to the inside of the grains are dominant factors controlling the intrinsic coercivity of the Nd-Fe-B alloy.

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).

This paper proposes a universal spin-dependent variable range hopping theoretical model to describe various experimental transport phenomena observed in wide-band-gap oxide ferromagnetic semiconductors with high transition metal concentration. The contributions of the 'hard gap' energy, Coulomb interaction, correlation energy, and exchange interaction to the electrical transport are considered in the universal variable range hopping theoretical model. By fitting the temperature and magnetic field dependence of the experimental sheet resistance to the theoretical model, the spin polarization ratio of electrical carriers near the Fermi level and interactions between electrical carriers can be obtained.

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.

The Xα method is applied to study the spin-polarized electronic structures and atomic magnetic moments of clusters La8-xBaxCuO6 in the compound La2-yBayCuO4.This paper shows that Cu magnetic moment in La2CuO4 is 0.37μB, which is in better agreement with the experimental value(0.48±0.15μB). Ba substitution lowers the structure symmetry, removes molecular orbital degeneracy, and hence strengthens orbital hybridization and weakens quasi-two-dimensional feature, which enhance the coupling between Cu-O layer and the neighbormg layers and influence the charge transfer. These changes strongly affect the properties of carriers. Holes are introduced due to Ba substitution and they mainly enter into O sites, a few d-electronic holes enter into Cu sites, which causes important effects on the density of states, atomic magnetic moment and valence states of Cu and O in Cu-O layers. The results confirm that the holes are not always beneficial to the superconductivity. At the beginning the holes are beneficial to the superconductivity; they can decrease the superconductivity when more holes are introduced. This paper can explain that the transition temperature of high-temperature superconductive oxides changes with the variation of the doping level.

La0.67Ca0.33MnO3 films with thickness between 25 and 400nm were fabricated on (001) SrTiO3 and (001) LaAlO3 substrates, using pulsed laser deposition. The magnetization and resistivity p of the films were studied as functions of thickness. The reduction of t causes the decrease of the Curie temperature T-C in addition to the increase of p of the films. Compared with the compressive strain in the La0.67Ca0.33MnO3/LaAlO3 films I the tensile strain in the La0.67Ca0.33MnO3/SrTiO3 films causes a faster reduction of T-C with t, and a larger value of rho(0). The low-temperature rho is found to follow well rho = rho(0) + Bomega(s)/sinh(2) (homega(s)/2k(B)T) + CTn, with rho(0) being the residual resistivity. The second term arises from the scattering by a soft optical phonon mode, and the third term denotes the other possible transport mechanisms. B, omega(s) ( the frequency of a soft optical mode) and C are fitting parameters. At temperatures higher than T-C, rho of all the films show activated conduction with rho = DTexp(E-a/k(B) T). Here, E-a is the activation energy. Based on the investigation of rho(0), omega(s) and E-a,E- the thickness and strain effects in the films are discussed, separately. Further study shows that the variation of T-C is mainly associated with E-a and omega(a), confirming the crucial role of the electron-phonon coupling in the strain effects on T-C.

Polarons and bipolarons in mixed halide MX compounds were studied in the frame work of the two-band extended Peierls-Hubbard model.Different from the isolated MX chains,it was found that the segments tend to select impurities in mixed halide compounds.Then the charge confinement and the effect of electron-electron interactions were investigated.Finally the properties of impurities in mixed halide compounds with spontaneous charge transfer were also discussed.

We present a model calculation,using the tight-binding approach,of a one-dimensional heterostructure consisting of regular alternation of two different halogen-bridged transition-metal compounds (MX compounds).Superlattice and multi-quantum-well properties can be detected depending on the well-barrier alternation sequence.We prove the possibility of developing new multi-quantum-well devices based upon MX compounds.

In our calculations of lattice vibration, one acoustic and three optical branche s were found to compose the phonon vibrating spectrum. Some isolated modes with frequencies lying outside the continuum branches aise under the defect states. These localized modes result in the sharp peaks in the infrared absorption and Raman spectra.

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.

A tight-binding model for conducting polymer poly(phenylene vinylene) (PPV) has been suggested in the framework of one-dimensional chains. The calculations showed that this model is effective to describe the ground state, polaron and bipolaron excitations in PPV. The stability of polarons and bipolarons was discussed by considering the effect of the dimensions, e-ph and e-e interactions.

Two series of [Pd/Co-Nb/Pd/Si] multilayer films were prepared by rf sputtering. The measurements of structure and magnetism were made by X-ray diffraction and magnetometer, respectively. As the thickness of Pd layers increases, the structure of Pd layers transfers from an amorphous state to a polycrystalline state. The polycrystalline state of the Pd layers shows two adjacent Pd fcc(111) peaks, which originate from the differences of lattice-mismatching degree and polarization of Pd atoms between the interfaces of Co-Nb layers and Pd layers and the interfaces of Pd layers and Si layers. As the thickness of Pd layers increases, the saturation magnetization monotonously increases from a value which is smaller than that of the bulk Co-Nb alloy with the same compositions to another value which is larger, then takes a constant value. This is contributed to the effects of polarization of Pd layers, dimension of Co-Nb magnetic layers and interdiffusion of atoms in the interfaces. The amorphous Co-Nb layers can influence the polarization of Pd atoms in the range of 2.5nm from the interfaces of Co-Nb layers and Pd layers. The is related to the strong interdiffusion of atoms in the interfaces and the large change of the Pd lattice constant in the film normal.

Based on the phenomenological theory of Camley and Barnas and coworkers (C-B), the dependence of magnetoresistance in Fe/Cr multilayers on the applied magne-tic field is calculated. In these multilayers an antiferromagnetic coupling exists between any two adjacent Fe-layers. The applied magnetic field is either parallel or perpendicular to the layers. Good agreement of the calculated results with the experimental ones is found. The symmetry implicitly involved in the C-B theory is disclosed and is used to simplify the original C-B formalism, this leads to the closed expressions for the distribution function of conducting electrons and for magnetore-sistance.

The stability of soliton pairs and the electronic energy level structures in a doped poly-acetylene chain have been studied under natural boundary conditiono. In the Itamiltanian usel an end point potential was added to the SHH model, and the screened Coulomb potential of impurities and e-e interaetion on the tattice points were also indndelincluded. The caleulated results Show that, as the range of coulomb interaction is long enongh, stable soliton pairs are formel in the chain, and the stability is enlanced by the influce of the ends the gap width becomes narrow with the increase of chain length. But the deplndence of transition energg from soliton level to band bottom on chain length is not very signicant.

Based on the fact of the existance of a small amount itinerant electrons, a new theoretical model giving rise to magneto-crystalline anisotropy in compound Nd2Fe14B is presented in this paper. It is proposed that a combined effect on Nd-ion coming from both the crystal field of ligands and the electric field of itinerant electrons results in the anisotropy in the compound. An approach of calculating the interaction between itinerant electrons and central Nd-ion is given. The magneto-crystalline anisotropy of Nd-ion and its temperature dependences are calculated based on the model. The results are in good agreement with the experiments, and also give explanation to the spin reorientation phenomenon in the compound.

The structural and magnetic properties of the two sources deposited Fe/Pd superlattices were studied. The samples were prepared by keeping the thickness of Pd layers dpd at 30? and varying dFe from 56 to 5.7?. The reduced saturation magnetization of Fe/Pd superlatti-ces, σt increased with the decrease of dFe this was due to the polarization effect of Pd. The effective thickness of polarization effect dpd was found as about 10? at 0K. The temperature dependence of magnetization followed Bloch T3/2 law in the range of 7-300K. and the spin-wave stiffness constant B increased with the decrease of dFe The Curie temperature, Tc decreased with dFe The 57Fe conversion electron M?ssbauer spectrum illustrated that the polarization effect existed among the layers, and there were no magnetic enhancing effect and "dead layer effect" on the Fe atoms at the interfaces.

The electron correlation and soliton in polyacetylene have been studied with the CBF method. By considering the complete electron-electron interaction, we concluded that the stable static configuration of a PA chain with odd atoms and a single electric charge is a soliton. With the increase of e-e interaction strength U and interaction range α/β the localization of soliton is enhanced, and the soliton creation energy is reduced, so although the e-e interaction is considered, the conclusion that soliton is main charged carrier in high conducting polymers is still tenable.

The compositionally modulated amorphous films FeSi/Si have been prepared successfully. Systematically varying the thickness dm of the FeSi layers with fixed thickness of Si layers, it is shown that the saturation magnetization Ms decreases monotonously with decreasing dm. This basically is the contribution from the dead layer effect. The thickness of dead layer at OK is about 5.8?. With decreasing dm, the modulated films transit from three dimensional magnetism to two dimensional one gradually. The expressions of this transition are the appearances of low magnetic and nonmagnetic hysteresis effect, the linear Ms(T)-T relations and the monotonous decreasing of Curie temperature Tc. Tc satisfies the equation: △Tc∝dm-1, where λ=1.6.

A calculation of magnetic single-ion anisotropy in hematite (α-Fe2O3) has been made, based on point-charge model in crystalline field. The nearest-neighbor O2- ions and the nexi-nearest-neighbor Fe3+ ions were chosen as ligands and the effect of electrostatic shield provided by the O2- ions was taken into account. Considering the sixth order perturbation, we ob-tained an equivalent single-ion anisotropy field Hsi=102.3×102 Oe. Making use of this results in conjunction with the computed equivalent dipolar anisotropy field by Artmen et al,. the Morin transition temperature in hematite TM=261 K was obtained, which is in good agreement with the experimental value. Based on the linear approximation principle, we got the TM-n relation for low n value in α-(Fe-1nAln)2O3. With this relation the dependence of the-Morin transition temperature, TM, on n in low n value range could be explained quite well.

We have proposed a simple Hamiltonian for poly(p-phenylene) in the framework of SSH tight binding model. The calculations presented to the ground state, polaron and bipolaron show that the formation of doubly charged bipolaron is energetically more favorable than the-formation of two polarons with single, charge. Because the period of the chain is 4a, the CB and VB band will split in two, and when there is a polaron (or bipolaron) in the chain, shallow energe levels will emerge near each band edge besides the polaron (or bipolaron) energe levels, all the corresponding electronic states are localized.