Entropy of planar random surfaces on the lattice

We study planar random surfaces on a hypercubic lattice in two and three dimensions by Monte Carlo techniques. Our data are consistent with the formula n₀(A;C) A^b₀A, where n₀(A;C) is the number of planar random surfaces with area A and boundary C. We find b₀ = −1.4 ± 0.2, = 5.31 ± 0.03 (for d = 2) and b₀ = −1.5 ± 0.2, = 7.13 ± 0.05 (for d = 3). The values of b₀ disagree with those obtained from the Polyakov string model.     

Multilayer relaxation of Rh(311)

The multilayer relaxation of the Rh(311) surface was investigated by means of LEED structure determination both for vertical and surface parallel (registry) relaxations. Excellent agreement between experimental and calculated spectra could be achieved mirrored by a minimum Pendry R-factor R = 0.174. The first three layer spacings are oscillatorily relaxed by Δd₁₂/d₀ = −14.5 ± 1.8%, Δd₂₃/d₀ = +4.9 ±2.0% and Δd₃₄/d₀ = −1.0 ±2.0%. There seems to be a coherent registry shift of the fir Δs = 0.03 ± 0.07 Å which, however, is within the error limits of the structure determination. Moreover, an energy dependent inner potential is detected. The results are discussed in comparison to equivalent surfaces of other materials as well as for the less open surfaces of rhodium.     

Leed studies of vicinal surfaces of silicon

Clean silicon surfaces inclined at small angles to (111), (100) and (110) planes were investigated by LEED. Surfaces oriented at low angles to the (111) plane contain steps with edges towards [2̄11] or [21̄1̄]. Steps with edges towards [2̄11] have a height of two interplanar distances d₁₁₁ at low temperatures. At 800°C the reversible reconstruction of this step array into the steps of monolayer height takes place. Steps with edges towards [21̄1̄] can be seen at low temperatures only. They are of monolayer height and disappear at annealing in vacuum. Surfaces oriented at low angles to the (100) plane contain steps with (100) terraces and have a height of about two interplanar distances d₁₀₀. Surfaces at low angles to (110) planes are facetted and contain facets of the (47 35 7) type. The information about surface self-diffusion of silicon may be obtained using the kinetic data of structural reconstructions on surfaces close to (111) at different temperatures.     

The structure of the surface compound CrN formed by cosegregation on a Fe–15%Cr–N(100) single crystal surface

Cosegregation is known to cause the formation of two-dimensional chemical compounds (surface compounds) which can be epitaxed to substrate surfaces of a suitable structure. In the present work the cosegregation-induced formation of the CrN surface compound on nitrided Fe–15%Cr–N(100) single crystal surfaces was studied by means of Auger electron spectroscopy and low-energy electron diffraction. Intensity versus energy spectra (I(E)) were measured and analysed fully dynamically to investigate the structural details of the CrN surface compound. It is found that nitrogen is segregated to the surface forming the sample's top layer and substantial amounts of chromium are cosegregated with nitrogen. Nitrogen atoms reside in four-fold symmetric hollow sites about 0.1 Å above the metallic substrate. There is a huge relative expansion of the distance between the first and second metal atom layers (Δd₁₂/d₀≈26%), while the distances between deeper layers are almost bulk-like. The small distance between the nitrogen and the top metal layer as well as the huge layer expansion Δd₁₂/d₀ are in agreement with results found for N/Cr(100).     

Phase transitions in the superionic protonic conductor CsHSeO4 investigated by Brillouin spectroscopy

A Brillouin investigation in CsHSeO₄ has been performed over the temperature range 20–165 °C which includes two phase transitions, in particular the transition to the superionic phase near T_s = 129 °C. We observed strong discontinuities for elastic constants C₁₁, C₂₂ and C₃₃ at T_s and a broadening of the Brillouin lines above T_s. The results are discussed on the basis of a linear coupling between strains and mobile protons.     

Low-temperature ESR study of PbO defects residing in the (111) Si/native oxide interface

A K-band electron spin resonance (ESR) study of the (111) Si/native SiO₂ structure has been carried out in the temperature range 2.4 T 30 K. The ESR signal of the interfacial [111] P_bO center was observed, exhibiting in general similar properties to the well-documented [111] P_bO signal observed on firmly thermally-oxidized (TO) Si. However, many details in the P_bO spectrum differ like, e.g., the strain-induced inhomogeneous (g-spread) part (B^G_pp) of the linewidth. For B|[111] (B being the externally applied magnetic field), the ²⁹Si hyperfine structure of the [111] P_bO center has been observed which is characterized by the hyperfine splitting a^hf = 159±2 G and the hf signal width B^hf_pp = 14.8±0.5 G. Both the observed B^G_pp and B^hf_pp reveal the existence of a significantly larger strain-induced g distribution in Si/native SiO₂. Apart from the [111] P_bO center, also the signals of the P_bO defects with their dangling orbital parallel to [11 ], [1 1] or [ 11] have been observed; as yet, these signals have not been observed on TO structures. The saturation behaviour has been examined showing the P_bO Si/native oxide interface center to be much less saturable than the P_bO in TO structures. The observations are related to the particular physico-chemical interface structure.     

LEED studies of vicinal surfaces of germanium

Clean germanium surfaces inclined at small angles to (111), (100) and (110) planes were investigated by LEED. Surfaces with orientations close to (111) and (100) are stepped and regular steps are retained in the whole temperature range investigated.Steps with (111) terraces and edges towards $\text{[2}\text{1}\text{1}\text{]}$ have a height of about one interplanar distance d₁₁₁ at all temperatures, and steps with edges towards $\text{[}\text{2}\text{11]}$ have a height of about two interplanar distances below 500°C and of about one interplanar distance above 500°C. Steps with (100) terraces and edges in the [011] direction have a height about two interplanar distances d₁₀₀. The surfaces with orientations close to (110) are facetted at room temperature. The (17 15 1) facets are present on the surfaces oriented in the $\text{[}\text{1}\text{10]}$ zone and the (10 9 2) facets on the surfaces oriented in the [001] zone. At high temperatures (about 480 and 770°C respectively) a reversible structural reconstruction of these surfaces into stepped ones takes place.     

MRI of hepatic lymphoma

Thirteen patients with biopsy proven hepatic lymphoma (2 Hodgkin, 11 Non-Hodgkin) and a control group of 15 patients with hepatic metastases were analyzed quantitatively and qualitatively by MRI. Focal hepatic lymphoma was most reliably detected (eight of eight patients) and appeared hypointense relative to liver on T₁ weighted (CNR − 7.4 ± 2.3) and hyperintense on T₂ weighted (CNR + 8.4 ± 2.9) images. The mean T₁ and T₂ relaxation times of focal hepatic lymphoma (T₁ = 832 ± 234 msec, T₂ = 84 ± 16 ms) differed significantly from adjacent non-tumorous liver (T₁ = 420 ± 121 ms, T₂ = 51 ± 9 ms; p < 0.05), however CNR values and relaxation times were similar to those of hepatic metastases. Diffuse hepatic lymphoma (microscopic periportal infiltration) was undetectable by MRI in three patients by either morphologic features or quantitative criteria. A mixed pattern of hepatic lymphoma (focal lesions and diffuse infiltration) showed focal areas of slightly decreased signal intensity on T₁ weighted images (CNR = −1.7 ± 0.4) while T₂ weighted images revealed multiple regions of focal hyperintensity (CNR = +13.3 ± 8.4) superimposed on a diffusely hyperintense liver. Our experience demonstrates that either T₁ or T₂ weighted techniques are useful in detecting focal and that T₂ weighted techniques are useful in detecting mixed hepatic lymphoma. Conventional image derived relaxation time measurements and quantitative parameters were of no additional diagnostic value.     

Optical second-harmonic investigations of the isothermal desorption of SiO from the Si(100) and Si(111) surfaces

The isothermal desorption of SiO from the Si(100) and Si(111) surfaces was investigated by means of optical second-harmonic generation (SHG). Due to the high adsorbate sensitivity of this method, desorption rates could be measured over a wide range from 10⁻¹ to 10⁻⁶ ML s⁻¹. From their temperature dependence between 780 and 1000 K, activation energies of E_A=3.4±0.2 eV and E_A=4.0±0.3 eV and pre-exponential factors of ν₀=10^16±1 s⁻¹ and ν₀=10^20±1 s⁻¹ for SiO desorption were obtained for Si(100) and Si(111), respectively. In the case of the Si(100) surface, a pronounced decrease of the first-order rate constants was observed upon increasing the initial coverage from 0.02 to 0.6 ML. The results are interpreted in terms of coverage-dependent oxygen-binding configurations, which influence the stability of the oxide layer.     

Al纳米线不同晶向力学行为和变形机制的模拟

采用分子动力学模拟计算方法,考察具有较高层错能的Al纳米线沿不同晶向的力学行为和变形机制。在相同计算条件下与具有较低层错能的Ni、Cu、Au和Ag等FCC金属纳米线进行比较。结果表明：在力学行为方面,Al纳米线的弹性模量呈现明显的结构各向异性,满足E_[111] > E_[110] > E_[100]的关系,这一关系在FCC金属纳米线中普遍成立;Al纳米线的屈服应力随晶向呈现σ_y[100] > σ_y[111] > σ_y[110]的关系,这一关系在具有较低层错能的FCC金属纳米线中不具有普遍性,这与体系中位错形成机制密切相关。根据拉伸变形过程微观结构的演变规律,阐明Al纳米线不同晶向的变形机制,并与具有较低层错能的Ni、Cu、Au和Ag等FCC金属纳米线的变形机制进行比较。结果表明,对于尺度较小的高层错能Al纳米线,Schmid因子和广义层错能均难以准确预测其变形机制。     

Influence of the ferroelastic twin domain structure on the {100} surface morphology of LaAlO3 HTSC substrates

LaAlO₃ crystals have been investigated with differential scanning calorimetry (DSC), high-precision X-ray powder diffraction (XRD) and scanning force microscopy (SFM). The DSC measurements show the second-order phase transition of LaAlO₃ at 544°C, where LaAlO₃ changes its symmetry from the cubic Pm3m high-temperature phase to the pseudocubic rhombohedral low-temperature phase. This paraelastic to improper ferroelastic phase transition causes twinning in the {100} and {110} planes of the pseudocubic lattice. The twin angles between the surface {100}_pseudocubic planes of twin domains were measured by SFM on the surface of a macroscopic (100)_cubic cut crystal plate. The misorientation angle ω₁₀₀ between {100} twins is 0.195(8)°, while {110} twinning gives an angle of ω₁₁₀=0.276(7)°. The two twin kink angles correspond to a rhombohedral angle of the pseudocubic cell of the phase as ₁=90.0973(40)° and ₂=90.0975(30)°, respectively. The XRD result for this rhombohedral angle is =90.096(1)°. The orientation of the misfit steps formed during annealing after mechanical surface polishing depends on the domain orientation and pattern during polishing. Any heating close to or above T_c changes the domain pattern. Footprints of previous domain patterns can thus be found on the surface in the form of surface corrugation and changes in the shape and orientation of misfit steps.     

Measurement of the analysing powers iT11, T20, T21 and T22 in elastic deuteron-proton scattering

The analysing powers iT₁₁, T₂₀, T₂₁ and T₂₂ for the elastic scattering of polarized deuterons by protons have been measured at deuteron energies of 6, 8, 10 and 11.5 MeV with the polarized deuteron beam from a tandem accelerator. The measurements cover the c.m. angular range from 40° to 155° and show small but non-zero analysing powers at all energies.     

Stokes parameters measurement of light over a wide wavelength range by judicious choice of azimuthal settings of quarter-wave plate and linear polarizer

The Stokes parameters (S_p, S₁, S₂, S₃) of light are measured at an arbitrary wavelength over a wide wavelength range. The Stokes parameters S₁ and S₂ are easily obtained. But the Stokes parameter S₃ at the arbitrary wavelength is affected by the phase difference error Δ₁ of the quarter-wave plate mismatch and the Stokes parameters S₁ or S₂. Therefore, in this paper, S₃ is obtained from both the intensity measurements by the circular polarizer rotating the quarter-wave plate by 0° and 90°. Then, S₃ is obtained by considering only Δ₁, but is not affected by S₁ and S₂. Also, though Δ₁ is not accounted for, S₃ is measured more accurately.     

X-ray and electron-energy-loss spectra of Bi, Sb, Te and Bi2Te3, Sb2Te3 chalcogenides

The valence region of Bi and Sb semimetals, of Te, and of their chalcogenides (Bi₂Te₃ and Sb₂Te₃) are explored by means of X-ray photoelectron Spectroscopy to find in their p, s and d-like orbital distributions a useful reference for interpreting the interband transitions present in the measured electron-energy-loss spectra. Their common reticular distortion (rhombohedral D₃) and their similar electronic structure justify a discussion of these compounds as a series. Our experimental data are discussed in terms of the calculated band structures.     

Magnetic ordering in U4Cu4P7 single crystal

The magnetic ordering in the tetragonal ternary compound U₄Cu₄P₇ has been studied by neutron diffraction. It orders below T_N = 146 K with an antiferromagnetic structure of wave vector k = (001). The magnetic ordering corresponds to a stacking of ferromagnetic (001) uranium planes according to the sequences m₁, m₁, m₂, -m₂, -m₁, -m₁, -m₂, m₂ where m₁ and m₂ represent the magnetic moment, directed along the tetragonal axis of the two uranium sites U(1) (0,0,± z₁) and U(2) (0,0, ± z₂) respectively. The magnetic moments on these two sites have different temperature dependencies as well as well as they reach the different values of 1.1 and 2.2.μ_B for the U(1) and U(2) sites, respectively.     

Solid-state electrochemical CO2 sensor by coupling lithium ion conductor (Li2CO3-Li3PO4-Asl2O3) with oxide ion-electron mixed conductor (La0.9Sr0.1MnO3)

A solid-state electrochemical cell of the type O₂(air), PtLa_0.9Sr_0.1MnO₃/Li₂CO₃(+5 mol% Li₃PO₄ + 6 mol% Al₂O₃)/Au, CO₂, O₂ was composed to determine CO₂ concentration, where Li₂CO₃, a lithium ion conductor, was used as an electrolyte, and the perovskite-type oxide (La_0.9Sr_0.1MnO₃)/O₂-electrode as a reference electrode. The electromotive force (EMF) of the cell was found to be proportional to the logarithm of CO/₂ partial pressure in CO₂/O₂/N₂ gas mixtures at temperatures between 300 and 400 °C. The EMF responded to changes of CO₂ partial pressure within 1 min at 400 °C. The sensitivity to CO₂ of this cell was not affected by coexistence of O₂, and the EMF remained constant after the first 15 days. The mechanism for sensing CO₂ is discussed.     

IVB族过渡金属氮化物弹性与光学性质研究

基于密度泛函理论平面波方法研究了IVB族过渡金属氮化物TiN, ZrN, HfN的电子结构、 弹性性质和光学性质. 研究表明, IVB族过渡金属氮化物晶格的电子结构分别体现了共价性、 离子性和金属性, 且基态下体系呈金属性. 各晶格在坐标基矢方向上的杨氏模量的数值与体对角线方向上的差距明显, 体现出典型的弹性性质各向异性, 这导致了实验研究在制备其薄膜时不可避免地产生晶格畸变与微裂纹. 伴随着态密度中赝隙的红移, TiN, ZrN, HfN的金属性依次增强, 使得材料在力学性能方面脆性减弱, 单晶的各向异性程度提升, 以及光学性质方面电子跃迁机理由带内跃迁到带间跃迁转变所需入射光子能量的蓝移和光谱选择性能的下降. 因此, 通过降低IVB族过渡金属氮化物中自由电子的组分以加强材料的共价性, 有利于提高材料弹性性质的各向同性, 改善材料的光谱选择性能. 关键词： 第一性原理 弹性性质 光学性质     

Temperature-dependent surface X-ray diffraction on K/Ag(001)-(2 × 1)

Temperature-dependent surface X-ray diffraction experiments have been performed on the K/Ag(001)-(2 × 1) adsorption system. The structure is characterized by a missing-row geometry in which alternate Ag rows along [1 0] are missing. The K atoms reside within the large grooves coordinated by six Ag atoms at a distance of 3.44(5) Å, corresponding to an effective K-radius of 2.00(5) Å. Large anisotropic disorder is observed for both the K-atoms and the top-layer (“ridge”) Ag atoms. The K-atom displacements are largest in the direction along the grooves, whereas for the Ag atoms the vibrations along [110] are significantly larger. The temperature dependence of the Ag vibrations is in accordance with Debye theory for the [110] direction, but deviates from it for the [1 0] vibrations at high temperature. In contrast to the K-atoms, the out-of-plane vibrations of the top-layer Ag atoms are larger than the in-plane vibrations. The inclusion of anharmonic contributions to describe the Ag disorder significantly improves the fits. It is shown that if anharmonicity is neglected the interlayer contraction is overestimated (Δd₁₂/d₁₂ only −3.2%, instead of −12.7% if anharmonicity is neglected). Due to the anharmonicity, different definitions of the atomic position arise (mean, mode and equilibrium position), which are discussed on the basis of the results.     

Longitudinal nuclear relaxation measurements in hcp H2

Measurements of T₁ in the hep phase of H₂, over the temperature range 2°–12°K and the ortho concentration range between 0.5 and 0.97 are presented. At temperatures below 10°K, the thermally activated self-diffusion is negligible and the mechanism for nuclear relaxation is that attributed by Moryia and Motizuki and by Harris to intramolecular dipolar interaction, modulated by intennolecular electric quadrupole-quadrupole (EQQ) interaction. The gaussian approximation for the correlation function was used by these authors to predict T₁. From the comparison between experiment and theory, we determine the EQQ parameter Γ/k_B to be 0.67°K. Above 10°K the effect of diffusion influences T₁, and the experimental results for an 88 per cent ortho H₂ sample up to the melting point suggest that the relaxation mechanisms resulting from EQQ interaction and diffusion are not independent of one another.     

LaF3∶Er,Yb纳米颗粒掺杂有机/无机杂化材料制备光波导放大器及特性研究

采用LaF₃∶Er,Yb纳米颗粒掺杂有机/无机杂化材料作为有源材料,制备了掩埋条形结构光波导放大器,研究了放大器在室温下的增益特性和波导中的频率上转换现象. 当抽运功率60 mW时,波导中明显可见绿色上转换发光,观测到Er³⁺从²H_9/2,²H_11/2,⁴S_3/2,⁴F_9/2到基态⁴I_15/2跃迁分别对应的4个波长分别为405?nm, 520?nm, 544?nm和650?nm的发射峰,分析了其产生机理. 当输入信号光06?mW,抽运功率160 mW时,在1535?nm波长处获得15 dB/cm的相对增益. 关键词： 光波导放大器 增益 上转换