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21.
D. Robert Lloyd Peter J. Roberts Ian H. Hillier Ian C. Shenton 《Molecular physics》2013,111(5):1549-1556
He(I), He(II) and variable temperature Ne(I) photoelectron spectra of sulphur trioxide are reported. All six of the expected ionic states have been detected and assigned; the assignment differs from a previous one. Ab initio calculations in a medium basis set have been carried out and spectral intensities have been calculated; agreement between the calculations and the spectra is good. The calculations show a substantial S(3d) character in the S-O bond, and the spectra are consistent with this. 相似文献
22.
We use molecular simulation to probe the connection between local structure and the unusual re-entrant dynamics observed for polydisperse hard-sphere liquids confined in thin slit pores. The local structure is characterised by calculating 2-D bond-orientational order parameters associated with square and hexatic order for particles in the layer adjacent to the confining walls. When the wall separation is commensurate with the average particle size, the particles primarily exhibit local hexatic order, whereas local square order increases in prevalence for incommensurate geometries. The relaxation time extracted from the ensemble-averaged mean-square displacement increases exponentially with the static correlation length associated with hexatic local order in strongly confined commensurate geometries, in agreement with theoretical predictions for dynamical slowing. Square order, by contrast, is not associated with a growing length scale for either commensurate or incommensurate geometries, indicating that it is strongly geometrically frustrated. Our results suggest that the influence of bond-orientational order on dynamical slowing may be altered by changing the extent of confinement. 相似文献
23.
The explanation of anomalous optical constants in thin chemically distinct layers on substrates offered by Plumb is re-examined and extended. The model invokes the concept of the space charged boundary layer and treats the charge carrier population as a free-electron gas to derive the optical behaviour of thin surface films. The implication of the space charge means that the optical constants of a dielectric film on a metal will vary over a distance directly proportional to the dielectric constant of the film and inversly proportional to the concentration of the electrons at the metal/film interface. Similarly as the temperature increases this space charge region should extend to larger distances from the interface. 相似文献
24.
If and are one-parameter automorphism groups of a von Neumann algebraM is said to be a bounded perturbation of if
t
–
t
0 ast0. We give a complete characterization of the bounded perturbations of . In particular, we show that if can be implemented by a strongly continuous one-parameter group with self-adjoint generator (Hamiltonian)H, then can be implemented in the same way and the corresponding HamiltonianH can be chosen to be of the formH=VHV
–1+h, whereV is a unitary ofM andh=h*M.On leave of absence from II. Institut für Theoretische Physik, Universität Hamburg, D-2000 Hamburg 50, Federal Republic of Germany 相似文献
25.
The system Cu(210)-O2 has been examined using LEED and AES, combined with optical simulation of diffraction patterns to investigate the detailed structure of the adsorbed layer. Exposure at 300 K and 5 × 10?9 Torr resulted in LEED patterns showing pronounced streaks. The corresponding structures are believed to require an adsorption mechanism in which O2 dissociation can occur only at a limited number of surface sites and in which O atoms after dissociation diffuse over quite large distances (?10 nm) before becoming chemisorbed. Heating these structures to 500–600 K produced a sharp (2 × 1) pattern; this step is thought to involve equilibration of the adsorbed layer. Further combinations of exposure (?1 × 10?6Torr) and heating (up to 500 K) resulted in a series of (2 × 1) and (3 × 1) patterns, while heating to 800 K at any stage of the oxygen interaction regenerated the clean surface. 相似文献
26.
The behaviour of lead and iron adsorbed on the W(100) surface has been studied by probe hole field emission microscopy, field desorption, and by measurement of the total energy distribution (TED) of field-emitted electrons. Lead adsorbed at 300 K which reduces the work function of W(100) can be completely removed at 78 K by field desorption below 3.2 V Å?1 and the resulting surface has both the work function and TED, which are characteristic of the clean plane. Condensation at 800 K followed by field desorption, results in a plane surface of work function 4.17 eV and an altered TED. This effect is attributed to the microfacetting, which is observed by LEED. The Swanson peak in the W(100) TED which is removed by submonolayer amounts of lead re-emerges at monolayer coverage when lead adopts the (1 × 1) structure. Such behaviour is consistent with the model proposed by Kar and Soven. A spectral peak observed when lead is adsorbed on the reconstructed W(100) surface is thought to derive from the atomic 1D state. Adsorption of iron on a W(100) surface reduces φ considerably due to dipole formation and efficiently quenches the Swanson peak. Higher coverages introduce other peaks in the TED enhancement curve, and by adopting an energy scale based on the work of Hagstrum, an attempt is made to interpret the observed peaks in terms of the known energy structure of the free iron atom. One of the three spectral peaks is assigned to the 4s2 ground state of the iron atom, and the remaining two peaks are tentatively attributed to atomic p-states. It is concluded that while the excited state structure of the iron atom is too complex to permit complete interpretation of the spectra, this approach offers the hope that, for simpler atoms, such features may be interpreted in this way. 相似文献
27.
In this work we investigate the ability of DLTS to detect the presence of interface states at metal/GaAs(100) (n-type) interfaces where the semiconductor surface has been prepared by two different procedures. A correlation is observed between the magnitude of the ideality parameter determined from the current-voltage (I-V) characteristic of the diode and presence in the DLTS spectrum of a feature attributable to interface states. Schottky diodes have been fabricated with both gold and iron contacts which exhibit near ideal behaviour (n<1.1). No interface states were detected by DLTS on either of these diodes. However, diodes fabricated on oxidised GaAs surfaces, with higher idealities (1.5 <n < 2), exhibit additional electron trap levels in the DLTS spectrum. For the case of iron, a deep level of activation energy 0.55 eV is observed in the conventional reverse bias pulse sequence mode of DLTS operation. In addition, for both gold and iron diodes, a spectral feature which can be attributed to a broad distribution of interface states within the deplation region is observed during a forward bias pulse sequence. 相似文献
28.
A. Roberts M. L. von Bibra H-P. Gemünd E. Kreysa 《International Journal of Infrared and Millimeter Waves》1994,15(3):505-517
In this paper a comparison between a rigorous electromagnetic model for transmission through a hexagonal array of circular waveguides in a series of thick, metallic screens and experimental measurements in the far infrared is made. It is found that there is excellent agreement between theory and experiment when the frequency is below that where any diffracted orders propagate. The agreement is still very good above this frequency. Below a frequency approximately equal to the cut-off frequency of the circular waveguides little power is transmitted. As the thickness of the screen is increased, this decrease in transmission becomes more abrupt. Also, for thick screens, resonances appear in the transmission spectrum which are analogous to those which appear in the spectra of two grids separated by a distance comparable to the wavelength of the radiation being used. 相似文献
29.
Ammar R Ball S Baringer P Bean A Besson D Coppage D Copty N Davis R Hancock N Kelly M Kwak N Lam H Kubota Y Lattery M Nelson JK Patton S Perticone D Poling R Savinov V Schrenk S Wang R Alam MS Kim IJ Nemati B O'Neill JJ Severini H Sun CR Zoeller MM Crawford G Daubenmier CM Fulton R Fujino D Gan KK Honscheid K Kagan H Kass R Lee J Malchow R Morrow F Skovpen Y Sung M White C Butler F Fu X Kalbfleisch G Ross WR Skubic P Snow J Wang PL Wood M Brown DN Fast J McIlwain RL Miao T Miller DH Modesitt M 《Physical review D: Particles and fields》1994,49(11):5701-5704
30.
Kubota Y Lattery M Nelson JK Patton S Perticone D Poling R Savinov V Schrenk S Wang R Alam MS Kim IJ Nemati B O'Neill JJ Severini H Sun CR Zoeller MM Crawford G Daubenmier CM Fulton R Fujino D Gan KK Honscheid K Kagan H Kass R Lee J Malchow R Morrow F Skovpen Y Sung M White C Butler F Fu X Kalbfleisch G Ross WR Skubic P Snow J Wang PL Wood M Brown DN Fast J McIlwain RL Miao T Miller DH Modesitt M Payne D Shibata EI Shipsey IP Wang PN Battle M Ernst J Kwon Y Roberts S Thorndike EH Wang CH 《Physical review letters》1994,72(13):1972-1976