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81.
A theoretical study of the electron dynamics in image potential states on Cu(1 0 0) surfaces with different types of adsorbates is presented. Scattering of the image state electron by an adsorbate induces inter-band and intra-band transitions leading respectively to the population decay and to the dephasing of the image state. We compare results obtained with low coverage (typically 1 adsorbate atom per 1000 surface atoms) Cs, Ar, and a model electronegative adsorbates. As follows from our results, Cs adsorbates lead to both appreciable dephasing and decay, while electronegative adsorbates mostly affect the dephasing rate. The effect of low coverage Ar adsorbates is small, consistent with their neutrality. 相似文献
82.
Marco Merkli 《Journal of Mathematical Analysis and Applications》2007,327(1):376-399
Level shift operators describe the second-order displacement of eigenvalues under perturbation. They play a central role in resonance theory and ergodic theory of open quantum systems at positive temperatures. We exhibit intrinsic properties of level shift operators, properties which stem from the structure of open quantum systems at positive temperatures and which are common to all such systems. They determine the geometry of resonances bifurcating from eigenvalues of positive temperature Hamiltonians and they relate the Gibbs state, the kernel of level shift operators, and zero energy resonances. We show that degeneracy of energy levels of the small part of the open quantum system causes the Fermi Golden Rule Condition to be violated and we analyze ergodic properties of such systems. 相似文献
83.
Iron alloys and aluminum were nitrogen implanted in a controlled oxygen atmosphere and the role of hydrogen on the surface etching mechanisms studied. The surface composition was analyzed by in situ photoemission electron spectroscopy (XPS). In iron alloys, hydrogen strongly etches oxygen, improving nitrogen retention on the surface. On the other hand, hydrogen removes nitrogen from aluminum surfaces, with a deleterious effect on the nitriding effectiveness. The oxygen removal in iron alloys is associated with the catalytic effect of electrons in d-orbitals and the nitrogen removal in aluminum is associated with a steric effect. 相似文献
84.
Yuri L. Mikhlin Alexander S. Romanchenko Alexander A. Shagaev 《Applied Surface Science》2006,252(16):5645-5658
Natural n-type PbS single crystals have been studied using AFM, STM and STS after long-term oxidation in air at ambient temperatures and extensive etching in aqueous acid solutions, in contrast to previous work devoted to initial corrosion of fresh surfaces. The exposure of PbS to atmosphere at high relative humidity for several days yields widespread loose oxidation products; the process is much slower at low humidity. Surface morphologies diverge after the treatment in 1 M perchloric and hydrochloric acid solutions at room temperature and become widely different at elevated temperatures, displaying commonly etch pits up to several micrometers in size and depth along with rather uniformly distributed 20-100 nm protrusions of PbS phase. The changes both in topography and semiconducting properties of PbS found by tunneling spectroscopy have been explained in terms of the non-uniform distribution of donor- and acceptor-type defects D+/D− in the metal depleted surface layer, which are generated by chemical reactions and, in turn, determine the rates of the PbS corrosion. In particular, the D− centers exhibit a self-catalyzing effect on the non-oxidative local dissolution of PbS in HCl media, resulting in the deep etch pits. 相似文献
85.
Yu. Gangrsky 《Hyperfine Interactions》2006,171(1-3):203-208
This review summarizes the experimental data on charge radii differences among ground state and high spin isomeric states
determined by high-resolution laser spectroscopic methods. A comparison is presented between radii changes obtained from the
isomeric shifts in the atomic spectra and from the quadrupole moments of both ground and isomeric states under the assumption
that the radii changes are determined by the difference of the quadrupole deformations. Special attention is paid to isomers
arising from the break-up of nucleon pairs and isomers of odd–odd nuclei. The characteristic features of the radii changes
for isomeric states of different origin are discussed. 相似文献
86.
The stress-strain state of multilayered plates on an undeformable foundation is investigated. The design diagram of a transversely
loaded plate is formed by supplementing it with a symmetric one about the contact surface of the foundation. The double-thickness
plate obtained becomes loaded bilaterally and symmetrically about its midsurface. In such a way, only unflexural deformations
can be modeled, which reduces the number of unknowns and the general order of differentiation of the resolving system of equations.
The refined continual model developed takes into account the deformations of transverse shear and transverse compression in
high iterative approximations. The cases of a rigid contact between the foundation and the plate and frictionless slip of
the plate over the foundation are considered. Calculations confirm the efficiency of such an approach, which allows one to
obtain solutions qualitatively and quantitatively close to three-dimensional ones.
__________
Translated from Mekhanika Kompozitnykh Materialov, Vol. 42, No. 5, pp. 643–654, September–October, 2006. 相似文献
87.
用FTIR技术考察了甲醇在不同形态氧化锆上的吸附和活化转化行为.甲醇吸附在无定型和四方氧化锆上生成线式和桥式甲氧基物种,而在单斜氧化锆上还出现锥桥式甲氧基物种.在单斜和无定性氧化锆上的桥式羟基活泼而四方氧化锆上的线式羟基活泼.氧化锆表面吸附的甲氧基物种在晶格氧的作用下进一步转化,在单斜和无定性氧化锆上生成甲酸盐,并且可以进一步氧化为碳酸盐物种;而在四方氧化锆表面,甲氧基物种可以直接氧化为碳酸盐物种,这表明四方氧化锆的晶格氧比其他两种氧化锆上的更为活泼. 相似文献
88.
Surface reconstructions of InGaAs alloys 总被引:1,自引:0,他引:1
The surface reconstructions of InxGa1−xAs alloys grown by molecular beam epitaxy on the (0 0 1) surfaces of GaAs and InAs have been studied by reflection high-energy electron diffraction and scanning tunnelling microscopy. A surface phase diagram is presented for the nominally strain-free alloy as a function of substrate temperature and alloy composition, and structural models for the commonly observed 3× reconstructions are discussed. Two new, electronically stable structural models are described that account for the transition of the InxGa1−xAs surface alloy from a c(4 × 4) to an asymmetric 3× reconstruction and that are fully consistent with all current experimental evidence. 相似文献
89.
All-electron full-potential linearized augmented plane-wave calculations of the surface energy, work function, and interlayer spacings of close-packed metal surfaces are presented, in particular, for the free-electron-like metal surfaces, Mg(0 0 0 1) and Al(1 1 1), and for the transition metal surfaces, Ti(0 0 0 1), Cu(1 1 1), Pd(1 1 1), and Pt(1 1 1). We investigate the convergence of the surface energy as a function of the number of layers in the slab, using the Cu(1 1 1) surface as an example. The results show that the surface energy, as obtained using total energies of the slab and bulk from separate calculations, converges well with respect to the number of layers in the slab. Obviously, it is necessary that bulk and surface calculations are performed with the same high accuracy. Furthermore, we discuss the performance of the local-density and generalized gradient approximations for the exchange-correlation functional in describing the various surface properties. 相似文献
90.
Density functional theory (DFT) slab calculations, mainly using the generalised gradient approximation, have been used to investigate the minimum energy structures of molecular SO2 and SO3 on Cu(1 1 1) and Ni(1 1 1) surfaces. On Ni(1 1 1) the optimal local adsorption structures are in close agreement with experimental results for both molecular species obtained using the X-ray standing wavefield technique, although for adsorbed SO2 the energetic difference between two alternative lateral positions of the lying-down molecule on the surface is marginally significant. On Cu(1 1 1) the results for adsorbed SO2, in particular, were sensitive to the DFT functional used in the calculations, but in all cases failed to reproduce the experimentally-established preference for adsorption with the molecular plane perpendicular to the surface. This result is discussed in the context of previously published DFT results for these species adsorbed on Cu(1 0 0). The optimal geometry found for SO3 on Cu(1 1 1) is similar to that on Ni(1 1 1), providing agreement with experiment regarding the molecular orientation but not the adsorption site. 相似文献