First-principle studies on the electronic structure of Fe3O4(110) surface

The first-principle was employed to study the six possible models for the Fe₃O₄(110) surface, namely the AB-terminated surface (AB model), the AB-terminated with Fe_A vacancy (AB-Fe_A vac model), the AB-terminated with Fe_B vacancy (AB-Fe_B vac model), the B-terminated surface (B model), the B-terminated surface with Fe_B vacancy (B-Fe_B vac model) and the B-terminated surface with O vacancy (B-O vac model). The stability, the electronic structure and the magnetic properties of the six surface models were also calculated. The results predict that the B-O vac model is more stable than other types of surface models. The half-metallic property remain in the AB and B models, while the other four surface models exhibit metallic properties. At the same time, the AB, AB-Fe_A vac, AB-Fe_B vac, B and the B-Fe_B vac models have ferrimagnetic properties, while the B-O vac model has antiferromagnetic property.      

用玻色子组态混合和玻色子表面δ相互作用研究核谱

用玻色子组态混合波函数和玻色子表面δ相互作用研究了三玻色子核⁴⁶Ti和⁵⁴Cr的sdgIBMI的能谱和E2跃迁概率,理论计算结果令人满意,比sdIBMI能拟合出更多的能级和E2跃迁概率,而且它们的误差更小. 说明g玻色子在振动区也起着重要的作用,同时进一步证明了这种玻色子组态混合模型是成功的.     

The Investigation of Bulk and Surface Polariton Modes in Ga1?xNxAs by Using Infrared Magneto Spectroscopy

We present and discuss infrared magnetoplasma reflectivity and surface polariton modes in Ga_1–xN_xAs. It assumed that the sample is characterized by a magnetoplasma dielectric tensor. Surface polariton dispersion for two component magnetoplasma was calculated from reflectivity spectra data. We detect transverse optic phonon of GaN sublattice in 470 cm^-1. The origin of sharp feature in p-polarization reflectivity about 300 cm^–1 as well as LO phonon frequency of GaAs sublattice is due to Brewster mode. An interesting feature of surface modes in Voigt geometry is nonreciprocalicity, which means that the frequency changes when the direction of propagation is reversed. Also, the infrared magnetoplasma reflectivity of GaNAs should be providing determination of the electrons and heavy holes effective mass and carrier's concentration.     

用于曲面精密检测的新型光纤三角传感器研究

基于光纤传感技术和三角测量方法，提出了一种用于曲面检测的新型光纤三角传感器。根据所设计的轮辐式接收光纤结构，可以在测量曲面与传感头间位移时，首先获取被测点处微面元的倾斜信息，以便对传感器测量值进行实时误差修正，从而解决了被测表面倾斜对坐标测量带来的影响。该传感器还能有效地消除环境光干扰、光源波动、表面反射率变化等对测量带来的影响。建立了传感器测量的数学模型。理论分析和初步的实验结果证明了系统的有效性和实用性。该传感器系统不稳定性好于0.3%，横向分辨率好于8μm，高度分辨率好于0.1μm。     

Light scattering by groups of spherical particles

Light scattering by groups of spherical particles is considered. It is shown that the structure of the groups and their orientational distribution can be judged from the spectrum and polarization of the scattered light. Syktyvkar State University, 55, Oktyabr'skii Ave., Syktyvkar, 167001, Russia. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 2, pp. 228–231, March–April, 1997.     

Total surface areas of Group IVA organometallic compounds: Predictors of toxicity to algae and bacteria

There is a high correlation between molecular surface area (TSA) of triorganotin and triorganolead compounds and their toxicity towards a bacterium (Escherichia coli) and an alga (Selenastrum capricornutum). Parallel attempts to correlate other Group IVA organometals incorporating silicon or germanium were unsuccessful. It was further demonstrated, however, that a high correlation was obtainable between certain series of compounds with the same organic substituent but different metal centers involving all Group IVA elements. In both instances, the inability to obtain a quantitative structure-activity relationship (QSAR) for all systems studied appears to be a function of the solubility of the compounds. While organotin TSA values have been found to correlate well with their toxicities toward various organisms, this study clearly suggests that this type of QSAR can be readily extended to include other organometal systems, provided that there is no solubility problem and the toxicity is a function of the hydrophobicity of the organometal compounds.     

Molecular dynamics simulation of entropy and surface tension for grain boundary of α-Fe

The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the ∑9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of entropy to surface tension of grain boundary can be ignored. The project supported by the National Natural Science Foundation of China and the Science Foundation of Chinese Academy of Sciences.     

Molecule-to-metal bonds: electrografting polymers on conducting surfaces.

Electrografting is a powerful and versatile technique for modifying and decorating conducting surfaces with organic matter. Mainly based on the electro-induced polymerization of dissolved electro-active monomers on metallic or semiconducting surfaces, it finds applications in various fields including biocompatibility, protection against corrosion, lubrication, soldering, functionalization, adhesion, and template chemistry. Starting from experimental observations, this Review highlights the mechanism of the formation of covalent metal-carbon bonds by electro-induced processes, together with major applications such as derivatization of conducting surfaces with biomolecules that can be used in biosensing, lubrication of low-level electrical contacts, reversible trapping of ionic waste on reactive electrografted surfaces as an alternative to ion-exchange resins, and localized modification of conducting surfaces, a one-step process providing submicrometer grafted areas and which is used in microelectronics.     

极性晶体外表面电子的量子像势及其极化子的基态能量

本从与真空接触的存在二支声子的半无限极性晶体表面附近极化子的哈密顿算符入手，应用二支模型理论，分别对GaAs和ZnO两种材料计算了外表面电子的量子像势及其极化子的基态能量，计算结果表明，利用二支模型理论求出的外表面极化子的基态能量与利用一支模型理论求出的外表在面极化子的基态能量相差较大，对GaAs，误差约为31.1%, 对ZnO，误差约为14.8%。