Au(111)上烷烃硫醇SAMs表面应力的理论研究

应用已建立的关于金属表面吸附层中表面应力的统计热力学理论 ,计算了Au(111)上烷烃硫醇SAMs的表面应力及其与烷烃硫醇链长、吸附覆盖度的定量关系 .计算结果与实验相符 ,较好地解释了Berger等人的实验结果 ,特别是解决了在表面应力符号性质上理论与实验的矛盾 .在表面吸附层应力的多种物理起源中 ,通过底物的分子间作用力有着决定性的贡献 ,揭示了分子的吸附能间接地起着重要作用 .这与阴离子化学吸附体系Cl-/Au(111)的有关研究结果相同 .     

Electronic properties of model quantum-dot structures in zero and finite magnetic fields

We have computed electronic structures and total energies of circularly confined two-dimensional quantum dots and their lateral dimers in zero and finite uniform external magnetic fields using different theoretical schemes: the spin-density-functional theory (SDFT), the current-and-spin-density-functional theory (CSDFT), and the variational quantum Monte Carlo (VMC) method. The SDFT and CSDFT calculations employ a recently-developed, symmetry-unrestricted real-space algorithm allowing solutions which break the spin symmetry. Results obtained for a six-electron dot in the weak confinement limit and in zero magnetic field as well as in a moderate confinement and in finite magnetic fields enable us to draw conclusions about the reliability of the more approximative SDFT and CSDFT schemes in comparison with the VMC method. The same is true for results obtained for the two-electron quantum dot dimer as a function of inter-dot distance. The structure and role of the symmetry-breaking solutions appearing in the SDFT and CSDFT calculations for the above systems are discussed. Received 16 October 2001 and Received in final form 17 January 2002     

A detailed analysis of the photoemission spectra of basic thioaromatic monolayers on noble metal substrates

Analysis of photoemission spectra of complex thioaromatic self-assembled monolayers (SAMs) requires the knowledge and understanding of such spectra for the basic systems. Keeping this goal in mind, synchrotron-based high-resolution X-ray photoelectron spectroscopy was used to characterize SAMs formed from the simplest thioaromatic compounds, namely thiophenol, 1,1′-biphenyl-4-thiol and 1,1′;4′,1″-terphenyl-4-thiol on evaporated Au(1 1 1) and Ag(1 1 1) substrates. The acquired S 2p and C 1s spectra were analyzed in terms of fine structure and initial and final state effects in the photoemission process. The assignment of the individual spectral features was considered in detail. Conclusions on quality and chemical and structural homogeneity of the investigated SAMs were derived.     

Fe/Si多层膜的层间耦合与界面扩散

对以本征Si及重掺杂ｐ型和ｎ型Si作为中间层的Fe/Si多层膜的层间耦合进行研究，并通过退火，增大Fe，Si之间的扩散，分析界面扩散对层间耦合的影响. 实验结果表明，层状结构良好的制备态的多层膜，Fe，Si之间也存在一定程度的扩散，它是影响层间耦合的 主要因素，远远超过了半导体意义上的重掺杂，使不同种类的Si作为中间层的层间耦合基本 一致.进一步还发现，在一定范围内增大Fe，Si之间的扩散，即使多层膜的层状结构已经有了相当的退化，Fe/Si多层膜的反铁磁耦合强度基本保持不变. 关键词： Fe/Si多层膜 层间耦合 界面扩散     

Recent Developments in Synchrotron Mössbauer Reflectometry

Hyperfine Interactions - Synchrotron Mössbauer Reflectometry (SMR), the grazing incidence nuclear resonant scattering of synchrotron radiation, can be applied to perform depth-selective phase...     

Construction of self-assembled monolayer terminated with N-heterocyclic carbene-rhodium(I) complex moiety

Functionalization of self-assembled monolayer (SAM) of alkanethiolate with metal containing unit is one of the versatile methods to obtain functional surfaces such as heterogeneous catalysts. However, organic molecules that strongly bind to transition metals at SAM terminal are limited. Recently N-heterocyclic carbenes (NHCs) such as cyclic diaminocarbenes have emerged as strongly σ-donating ligands forming a robust bond with broad spectrum of transition metals. In the present study, for the purpose of establishment of a new robust basement for heterogeneous metal catalysts, a SAM of the alkanethiolate terminated with NHC-rhodium(I) complex moiety was prepared by utilizing a newly designed disulfide molecule bearing NHC-metal complex terminals. X-ray photoelectron spectroscopy (XPS) analysis and angle resolved XPS measurement revealed successful formation of the Rh-complex-terminated SAM on a gold substrate. Infrared reflection absorption spectroscopy (IRRAS) analysis suggested that the linker methylene chains connecting the rhodium complex moiety and the gold surface are in a loosely packed structure. This unique chemical species, NHC, would be a promising candidate as a basement for the construction of functional surface.     

Protection of iron corrosion by stearic acid and stearic imidazoline self-assembled monolayers

A type of stearic imidazoline (IM) inhibitor was prepared using stearic acid (SA) and diethylenetriamine (DETA) as raw materials. The monolayers of IM and SA were assembled on the iron surface. The electrochemical characterization of stearic acid (SA) and stearic imidazoline (IM) on an oxide free iron surface had been studied. The monolayers of IM inhibitor were characterized by electrochemical impedance spectroscopy (EIS), electrochemical polarization curves, double layer capacitance, X-ray photoelectron spectroscopy (XPS) and molecular simulation. The results of electrochemical studies had illustrated that the inhibition efficiency of IM was higher than SA. XPS showed that the IM molecules adsorbed on the iron surface. The molecular simulation calculations showed that the IM molecules were tilted at an angle on the iron surface.     

Effects of oblique-incidence evaporation on magnetic properties of Fe20Ni80/Fe70Co30 bilayer film

Evaporative deposition at oblique incidence is shown to enhance the magnetic anisotropy of an Fe₂₀Ni₈₀ magnetic film and induce magnetic anisotropy in an overlying, strongly isotropic Fe₇₀Co₃₀ film. This deposition method for the formation of an underlayer of several lattice parameters in thickness and semi-hard overlayer of a few thousands Angstroms in thickness achieves a significant change in the magnetization process and strong suppression of the coercive forces of Fe₇₀Co₃₀ in the hard magnetization direction. Soft magnetization of the Fe₇₀Co₃₀ overlayer is not achieved when one of the layers is deposited at oblique incidence. It is anticipated that shape magnetic anisotropy is responsible in part for the magnetic anisotropy induced in both in Fe₂₀Ni₈₀ under- and Fe₇₀Co₃₀ overlayer by oblique incidence evaporation.     

Intermixing during epitaxial growth and Mössbauer spectroscopy with probe layers

Mössbauer spectroscopy with ⁵⁷Fe (¹¹⁹Sn) probe layers is a useful method to study the local magnetic structures at buried interfaces. However interface alloying, which always exists in the real samples, have to be taken into account for accurate interpretation of experimental data. We developed an algorithm, which describes the interface intermixing in the multilayers. Substituting deposited atoms by atoms of substrate and floating of deposited atoms in the upper layers during epitaxial growth leads to the formation of asymmetric chemical and magnetic interfaces. This asymmetry in the M₁/M₂ superlattices can explain the difference between magnetic responses from M₁ on M₂ and M₂ on M₁ interfaces which were observed in experiments. Applying this intermixing model to the systems with probe layers located at different distances from the interfaces gives the natural explanation of hyperfine fields distributions on probe atoms and helps us clarify some discrepancies reported in the literature.     

Photoluminescence of Ge(Si)/Si(0 0 1) self-assembled islands in the near infra-red wavelength range

The dependence of photoluminescence spectra of structures with GeSi/Si(0 0 1) self-assembled nanoislands on growth temperature has been investigated. It was shown that the redshift of the island-related photoluminescence peak with a decrease of the growth temperature is associated with suppression of Si diffusion in the islands and an increase of Ge content in them. For the first time a photoluminescence signal from SiGe islands was observed at energies much lower than the Ge band gap. The energy position of the island-related photoluminescence peak is well described by the model of optical transition, which is indirect in real space. The photoluminescence signal at 1.55 μm from GeSi/Si(0 0 1) self-assembled islands was obtained up to room temperature.