Optical Theorem and the Inversion of Cross Section Data for Atom Scattering from Defects on Surfaces

The information content and properties of the cross section for atom scattering from a defect on a flat surface are investigated. Using the Sudden approximation, a simple expression is obtained that relates the cross section to the underlying atom/defect interaction potential. An approximate inversion formula is given, that determines the shape function of the defect from the scattering data. Another inversion formula approximately determines the potential due to a weak corrugation in the case of substitutional disorder. An Optical Theorem, derived in the framework of the Sudden approximation, plays a central role in deriving the equations that conveniently relate the interaction potential to the cross section. Also essential for the result is the equivalence of the operational definition for the cross section for scattering by a defect, given by Poelsema and Comsa, and the formal definition from quantum scattering theory. This equivalence is established here. The inversion result is applied to determine the shape function of an Ag atom on Pt(111) from scattering data.Comment: 29 pages, 9 Postscript figures, more info available at http://www.fh.huji.ac.il/~dan

Investigation of dual polarization laser modulation

Dual polarization lasers for wideband optical communication

He Scattering from Random Adsorbates, Disordered Compact Islands and Fractal Submonolayers: Intensity Manifestations of Surface Disorder

A theoretical study is made on He scattering from three fundamental classes of disordered ad-layers: (a) Translationally random adsorbates, (b) disordered compact islands and (c) fractal submonolayers. The implications of the results to experimental studies of He scattering from disordered surfaces are discussed, and a combined experimental-theoretical study is made for Ag submonolayers on Pt(111). Some of the main theoretical findings are: (1) Structural aspects of the calculated intensities from translationally random clusters were found to be strongly correlated with those of individual clusters. (2) Low intensity Bragg interference peaks appear even for scattering from very small ad-islands, and contain information on the ad-island local electron structure. (3) For fractal islands, just as for islands with a different structure, the off-specular intensity depends on the parameters of the He/Ag interaction, and does not follow a universal power law as previously proposed in the literature. In the experimental-theoretical study of Ag on Pt(111), we use first experimental He scattering data from low-coverage (single adsorbate) systems to determine an empirical He/Ag-Pt potential of good quality. Then, we carry out He scattering calculations for high coverage and compare with experiments. The conclusions are that the actual experimental phase corresponds to small compact Ag clusters of narrow size distribution, translationally disordered on the surface.Comment: 36 double-spaced pages, 10 figures; accepted by J. Chem. Phys., scheduled to appear March 8. More info available at http://www.fh.huji.ac.il/~dani

Pregnancy-associated breast cancer - Special features in diagnosis and treatment

For obvious psychological reasons it is difficult to associate pregnancy - a life-giving period of our existence with life-threatening malignancies. Symptoms pointing to malignancy are often ignored by both patients and physicians, and this, together with the greater difficulty of diagnostic imaging, probably results in the proven delay in the detection of breast cancers during pregnancy. The diagnosis and treatment of breast cancer are becoming more and more important, as the fulfillment of the desire to have children is increasingly postponed until a later age associated with a higher risk of carcinoma, and improved cure rates of solid tumors no longer exclude subsequent pregnancies. The following article summarizes the special features of the diagnosis and primary therapy of pregnancy-associated breast cancer with particular consideration of cytostatic therapy

Transverse "resistance overshoot" in a Si/SiGe two-dimensional electron gas in the quantum Hall effect regime

We investigate the peculiarities of the "overshoot" phenomena in the transverse Hall resistance R_{xy} in Si/SiGe. Near the low magnetic field end of the quantum Hall effect plateaus, when the filling factor \nu approaches an integer i, R_{xy} overshoots the normal plateau value h/ie^2. However, if magnetic field B increases further, R_{xy} decreases to its normal value. It is shown that in the investigated sample n-Si/Si_{0.7}Ge_{0.3}, overshoots exist for almost all \nu. Existence of overshoot in R_{xy} observed in different materials and for different \nu, where splitting of the adjacent Landau bands has different character, hints at the common origin of this effect. Comparison of the experimental curves R_{xy}(\nu) for \nu = 3 and \nu = 5 with and without overshoot showed that this effect exist in the whole interval between plateaus, not only in the region where R_{xy} exceeds the normal plateau value.Comment: 3 pages, 5 EPS figure

A Simplified Approach to Optimally Controlled Quantum Dynamics

A new formalism for the optimal control of quantum mechanical physical observables is presented. This approach is based on an analogous classical control technique reported previously[J. Botina, H. Rabitz and N. Rahman, J. chem. Phys. Vol. 102, pag. 226 (1995)]. Quantum Lagrange multiplier functions are used to preserve a chosen subset of the observable dynamics of interest. As a result, a corresponding small set of Lagrange multipliers needs to be calculated and they are only a function of time. This is a considerable simplification over traditional quantum optimal control theory[S. shi and H. Rabitz, comp. Phys. Comm. Vol. 63, pag. 71 (1991)]. The success of the new approach is based on taking advantage of the multiplicity of solutions to virtually any problem of quantum control to meet a physical objective. A family of such simplified formulations is introduced and numerically tested. Results are presented for these algorithms and compared with previous reported work on a model problem for selective unimolecular reaction induced by an external optical electric field.Comment: Revtex, 29 pages (incl. figures

Structure Determination of Disordered Metallic Sub-Monolayers by Helium Scattering: A Theoretical and Experimental Study

An approach based on He scattering is used to develop an atomic-level structural model for an epitaxially grown disordered sub-monolayer of Ag on Pt(111) at 38K. Quantum scattering calculations are used to fit structural models to the measured angular intensity distribution of He atoms scattered from this system. The structure obtained corresponds to narrowly size-dispersed compact clusters with modest translational disorder, and not to fractals which might be expected due to the low surface temperature. The clusters have up to two layers in height, the lower one having few defects only. The relations between specific features of the angular scattering distribution, and properties such as the cluster sizes and shapes, the inter-cluster distance distribution etc., are discussed. The results demonstrate the usefulness of He scattering as a tool for unraveling new complex surface phases.Comment: 5 pages, 3 figures, to appear in Surf. Sci. Lett. Related papers available at http://neon.cchem.berkeley.edu/~dani/He-papers.htm

Linear response functions for a vibrational configuration interaction state

Linear response functions are implemented for a vibrational configuration interaction state allowing accurate analytical calculations of pure vibrational contributions to dynamical polarizabilities. Sample calculations are presented for the pure vibrational contributions to the polarizabilities of water and formaldehyde. We discuss the convergence of the results with respect to various details of the vibrational wave function description as well as the potential and property surfaces. We also analyze the frequency dependence of the linear response function and the effect of accounting phenomenologically for the finite lifetime of the excited vibrational states. Finally, we compare the analytical response approach to a sum-over-states approac

Exciton states in monolayer MoSe2: impact on interband transitions

We combine linear and non-linear optical spectroscopy at 4K with ab initio calculations to study the electronic bandstructure of MoSe2 monolayers. In 1-photon photoluminescence excitation (PLE) and reflectivity we measure a separation between the A- and B-exciton emission of 220 meV. In 2-photon PLE we detect for the A- and B-exciton the 2p state 180meV above the respective 1s state. In second harmonic generation (SHG) spectroscopy we record an enhancement by more than 2 orders of magnitude of the SHG signal at resonances of the charged exciton and the 1s and 2p neutral A- and B-exciton. Our post-Density Functional Theory calculations show in the conduction band along the $K-\Gamma$ direction a local minimum that is energetically and in k-space close to the global minimum at the K-point. This has a potentially strong impact on the polarization and energy of the excitonic states that govern the interband transitions and marks an important difference to MoS2 and WSe2 monolayers.Comment: 8 pages, 3 figure