Neutron scattering study of the ferroelectric phase transition of SbSI

The paraelectric-ferroelectric phase transition of SbSI has been studied using neutron scattering. Several low frequency phonon branches have been observed. In particular, it has been shown that the [100] and [010] transverse acoustic modes polarized along the [001] direction with the same symmetry as the soft mode, exhibit very anisotropic dispersion relations in reciprocal space. For large q values, an anomalous dispersion relation and a very large temperature dependence have been observed. All these effects are shown to be due to a coupling with a soft mode-central component entity. This entity was observed away from the zone center, but at the zone center, in contrast with the light scattering measurements, no well-defined soft mode response could be observed.     

金刚石/硅(001)异质界面的分子动力学模拟研究

采用分子动力学方法模拟研究了未重构的金刚石/硅(001)面相接触时界面层原子的弛豫过程及所形成的异质界面的结构特征.硅碳二元系统中原子间的相互作用采用Tersoff多体经验势描述.弛豫前沿[110]与[110]方向界面碳硅原子数之比均为3∶2.界面碳硅原子总数之比为9∶4.弛豫后金刚石与硅界面处晶格匹配方式改变为[110]方向基本上以3∶2关系对准,而[110]方向大致以1∶1关系对准.相应地,界面碳硅原子总数之比接近3∶2.界面下方部分第二层硅原子在弛豫过程中向上迁移至界面是引起这种变化的原因,同时该层其他原子及其底下一到两个原子层厚度的区域在[001]方向上出现一定程度的无序化转变倾向.金刚石/硅异质界面处的硅碳原子发生强烈键合,形成平均键长为0.189nm的硅碳键.研究证实,晶格匹配主要呈现界面及其附近硅原子迎合界面碳原子排列的特点. 关键词： 金刚石 硅 异质界面 分子动力学     

Transmission of surface acoustic waves through the interface based on discontinuity of electrical boundary conditions on surface of potassium niobate

This paper presents theoretical investigation of the propagation of surface acoustic waves (SAWs) across the boundary between metallized (electrically shorted) and unmetallized (electrically open) regions on the surface of potassium niobate crystals. Potassium niobate is a very strong piezoelectric material and has the interesting property that only one type of SAW, namely a Rayleigh wave, can exist on unmetallized surface, where as two types of SAWs, namely Rayleigh and Bleustein-Gulyaev (BG), can exist on a metallized surface. Analysis shows that the Rayleigh wave propagates through the interface with very little change in amplitude or polarization. On the other hand, almost total reflection of the BG wave is expected. Details of the theoretical analysis and calculated results will be presented.     

Ni,Pd和Pt的表面应力

半经验的修正嵌入原子方法用于Ni，Pd和Pt的低指数面的表面应力计算，得到了与第一原理计算相符合的结果．给出了（110）表面［110］方向的应力是［001］方向应力的两倍左右；阐明了应力各向异性是所有fc金属（110）面的一般特性．预言了Pd和Pt（100）的表面应力的大小． 关键词：     

Localized surface modes and resonances for vicinal surfaces: The (117) face of fcc crystals

Considering the (117) face of an fcc crystal, the dispersion relations of localized surface modes and resonances have been calculated using the method of generating coefficients of Green functions. The force between atoms are limited to the central force between the nearest neighbours. In the direction of propagation orthogonal to a step, for each wavevector value, a localized surface mode and two resonances have been found. Their polarization amplitude and width have been calculated. It is shown that these results can be qualitatively understood by folding three times the dispersion relation of the (001) face which is the crystallographic plane of the terrace. In the direction parallel to the step, the dispersion relations are obtained by the superposition of the sagittal and transverse dispersion relation of the (001) face. The (117) configuration introduces a coupling between these two polarizations and some resonances appear. A general rule which enables one to predict qualitatively the shape of the dispersion relation for any vicinal surface of type (11m) is expressed.     

The surface plasmon polariton dispersion relations in a nonlinear-metal-nonlinear dielectric structure of arbitrary nonlinearity

The analytic surface plasmon polaritons(SPPs) dispersion relation is studied in a system consisting of a thin metallic film bounded by two sides media of nonlinear dielectric of arbitrary nonlinearity is studied by applying a generalised first integral approach.We consider both asymmetric and symmetric structures.Especially,in the symmetric system,two possible modes can exist:the odd mode and the even mode.The dispersion relations of the two modes are obtained.Due to the nonlinear dielectric,the magnitude of the electric field at the interface appears and alters the dispersion relations.The changes in SPPs dispersion relations depending on film thicknesses and nonlinearity are studied.     

Transverse elastic waves in Fibonacci superlattices

We study the transverse elastic waves propagating in 6-mm class hexagonal crystals forming Fibonacci superlattices. These are formed by repetitions of CdS and ZnO slabs in A and B constituent blocks following the Fibonacci sequence. We study the periodic superlattices formed by the infinite repetition of a given Fibonacci generation together with the finite Fibonacci generations having stress-free surfaces, in order to compare the effects introduced by the different boundary conditions. We have also considered the effects of piezoelectricity when all the interfaces are metallized and kept at a fixed potential. We use the surface Green function matching method forNnonequivalent interfaces to obtain the dispersion relations and the density of states of these systems. We have studied the influence of the increasing order of the Fibonacci generations on the dispersion relation of the transverse elastic modes. The Fibonacci spectrum is clearly seen even for low-order Fibonacci generations and is almost not modified by the piezoelectric coupling when the interfaces are metallized.     

Incredible negative values of effective electromechanical coupling coefficient for surface acoustic waves in piezoelectrics

The extraordinary case of increase in velocity of surface acoustic waves (SAW) caused by electrical shorting of the surface of the superstrong piezoelectric crystal potassium niobate, KNbO3, is numerically found. The explanation of this effect is based on considering SAWs as coupled Rayleigh and Bleustein-Gulyaev modes. A general procedure of approximate decoupling of the modes is suggested for piezoelectric crystals of arbitrary anisotropy. The effect under study takes place when the phase velocity of uncoupled sagittally polarized Rayleigh waves is intermediate between the phase velocities of uncoupled shear-horizontal Bleustein Gulyaev waves at the free and metallized surfaces. In this case, the metallization of the surface by an infinitely thin layer may cause a crossover of the velocity curves of the uncoupled waves. The presence of the mode coupling results in splitting of the curves with transition from one uncoupled branch to the other. This transition is responsible for the increase in SAW velocity, which appears to be greater than its common decrease produced by electrical shorting of the substrate surface.     

In-plane anisotropy in two-dimensional electron gas at LaAlO_3/SrTiO_3(110) interface

A systematic study of the two-dimensional electron gas at La AlO_3/SrTiO_3(110) interface reveals an anisotropy along two specific directions, [001] and 1ī0. The anisotropy becomes distinct for the interface prepared under high oxygen pressure with low carrier density. Angular dependence of magnetoresistance shows that the electron confinement is stronger along the 1ī0 direction. Gate-tunable magnetoresistance reveals a clear in-plane anisotropy of the spin–orbit coupling,and the spin relaxation mechanism along both directions belongs to D'yakonov–Perel'(DP) scenario. Moreover, in-plane anisotropic superconductivity is observed for the sample with high carrier density, the superconducting transition temperature is lower but the upper critical field is higher along the 1ī0 direction. This in-plane anisotropy could be ascribed to the anisotropic band structure along the two crystallographic directions.     

Elastic wave surfaces for the (111) plane of cubic crystals

The nature of inverse velocity surfaces as well as energy surfaces for elastic wave propagation in the (111) plane have been studied for a number of cubic crystals. The sections of inverse velocity surfaces by the (111) plane exhibit six-fold symmetry in all cases. Cuspidal edges are exhibited with a six-fold symmetry by both the slow transverse and fast transverse shear modes in the (111) plane, unlike the case of the (100) and (110) planes for which only the slow transverse shear mode exhibits cuspidal edges. The slow transverse mode energy surface exhibits cuspidal edges along direction or an equivalent symmetry direction. The inverse velocity surfaces of the A-15 compounds exhibit unusually large inflexions for the slow transverse mode, whereas their energy surfaces have large cuspidal edges which intersect each other resulting in common regions of cusps.     

Possibilité de surstructures d'lnterface

On a simple model of an interface, obtained by coupling along two (001) surfaces two semi-infinite simple cubic crystals having the same lattice parameter, we show that atomic superstructures may exist near an interface. We use for that central potentials between first and second nearest neighbours and calculate soft localized phonons at the interface.     

Spin waves in nickel thin films

Dynamic susceptibility and spin waves in nickel thin films are investigated within the framework of the multiband model. Parameters of the model are chosen in such a way that one-electron ground-state results consistent with ab initio theories are obtained. The dispersion relation for spin waves which propagate in the plane parallel to the surface along the [1 0] and [1 1] directions is calculated. Acoustic surface mode is observed up to the Brillouin zone boundary for wave vector q along the [1 1] direction and localization of the mode in the surface layer gradually increases with increasing q. On the other hand, for q in the [1 0] direction acoustic surface mode appears only for low q values and it disappears in the band of bulk modes for greater values of q. Near the zone boundary only bulk modes are observed. It is suggested that the disappearance of the surface mode can be a result of crossing of spin-wave branches.     

The dispersion relations for surface plasmon in a nonlinear-metal-nonlinear dielectric structure

In the asymmetric and symmetric nonlinear-metal-nonlinear dielectric structures, this paper studies the analytic dispersion relation for surface plasmon in a system consisting of a thin metallic film covered on two sides media of intensity-dependent refractive indexes by applying a generalised first integral approach. Especially in the symmetric waveguide structure, two possible modes can exist: the odd mode and the even mode. The dispersion relations of the two modes are obtained. Due to the nonlinear dielectric, the squared magnitude of the electric field at the interface appears and alters the dispersion relations. Numerical results are compared to those from a certain approximate treatment.     

Calculation of rheed from stepped Si(001) for interpretation of rheed oscillations during MBE

RHEED intensities from stepped Si(001) surfaces are calculated to show the azimuthai dependence of RHEED intensity oscillations during Si MBE on a single domain of Si(001). The results explain why different intensities are observed when the incident beam azimuth is along the [110] and the [1̄10] directions and they are consistent with recently reported experimental results. In addition the results of the calculations indicate that the preferred island growth direction is perpendicular to the bonding direction between the atoms in the growing layer and the underlying substrate layer.     

面心立方金属声子色散曲线的数值模拟

把分析型嵌入原子法（AEAM）和晶格动力学理论相结合,在三维布喇菲晶格振动模型的基础上模拟了面心立方金属Au、Ag、Pt、Cu和Ni沿[00ζ]、[0ζζ]、[ζζζ]和[0ζ1]4个对称方向的声子色散曲线.结果表明：模拟曲线与实验点线符合的较好,特别在低频附近二者几乎一致,而在纵波模（L）q=（001）2π/a,q=...     

Si(001)邻面上与台阶有关的电子态

我们用角分辨光电子谱(ARUPS)研究了Si(001)邻面上与台阶有关的电子态。在对称点Γ(K₁₁=0),发现此态的能级在E_F以下0.5—0.6eV处。同时还测得该态的色散(<0.3eV)比正常的Si(001)表面态的色散(0.6—0.7eV)来得小。 关键词：     

Electron energy loss spectroscopy measurement of surface vibration dispersion on clean and oxygen-covered Ni(100)

Inelastic electron scattering has been carried out at 300 K on Ni(100) and at 150 K on p(2 × 2) and c(2 × 2) oxygen overlayers adsorbed on Ni(100). Impact energies ranged from 4 to 300 eV in order to measure the dispersion curves of surface vibrations throughout the two-dimensional Brillouin zone in the [110] direction. The Rayleigh mode has been observed in all cases. On O-coved surfaces a surface resonance and two vibrations of different polarizations associated with oxygen motion have been detected. The polarizations of the detected modes and the origin of the resonances, arising from the folding of the Brillouin zone due to the adsorbate, have been analysed with the help of symmetry considerations and the EELS selection rules. The O-coverage dependence of the Rayleigh mode frequency suggests a continuous outwards expansion of the first Ni plane starting from a contracted clean surface. The O-dispersion data are consistent with an O layer distant from the first Ni plane by ～ 0.9 Å in both investigated overlayers.     

Spin-orbit coupling-induced magnetic phase in the d-density-wave phase of La(2-x)Ba(x)CuO4 superconductors

We study the effects of spin-orbit coupling in the d-density wave (DDW) phase. In the low-temperature orthorhombic phase of La(2-x)Ba(x)CuO4, we find that spin-orbit coupling induces ferromagnetic moments in the DDW phase, which are polarized along the [110] direction with a considerable magnitude. This effect does not exist in the superconducting phase. On the other hand, if the d-density wave order does not exist at zero field, a magnetic field along the [110] direction always induces such a staggered orbital current. We discuss experimental constraints on the DDW states in light of our theoretical predictions.     

Observation of a new excitation in bcc 4He by inelastic neutron scattering

We report neutron-scattering measurements of the phonons in bcc solid 4He. In general, only three acoustic phonon branches should exist in a monatomic cubic crystal. In addition to these phonon branches, we found a new "opticlike" mode along the [110] direction. One possible interpretation of this new mode is in terms of localized excitations unique to a quantum solid.     

Anisotropic transport properties of charge-ordered La_(5/8-y)Pr_yCa_(3/8)MnO_3(y= 0.43) film

The anisotropic resistances along [001] and [1-10] axes are investigated for an La5/8-yPryCa3/8MnO3(y = 0.43)(LPCMO) film grown on(110)-oriented La AlO3 substrate. It is found that the charge order(CO) transition is much stronger and the resistance is larger along the [001] direction than that along the [1-10] direction. Special attention has been paid to the different effects of a magnetic field on the resistances of the two axes. The resistance is more susceptible to the magnetic field along the [001] direction compared with that along the [1-10] direction. Our results demonstrate that the anisotropic transport properties can be ascribed to the intrinsic anisotropic strain field in the film, which changes the shape of metallic domains for the phase separation manganite film. We also provide a feasible method to rule out the Joule heat effect from the electric current effect. This could be useful for future construction and application of materials and devices.