Shake-up lines

In addition to primary features from copper in Eig. 2.7 are small photoelectron peaks at 955 and 1204 eV kinetic energies, arising from the oxygen and carbon Is levels, respectively, because of the presence of some contamination on the surface. Secondary features are X-ray satellite and ghost lines, surface and bulk plasmon energy loss features, shake-up lines, multiplet splitting, shake-off lines, and asymmetries because of asymmetric core levels [2.6]. 

The size-dependence of the intensity of single shake-up lines is dictated by the squares of the coupling amplitudes between the Ih and 2h-lp manifolds, which by definition (22) scale like bielectron integrals. Upon a development based on Bloch functions ((t>n(k)), a LCAO expansion over atomic primitives (y) and lattice summations over cell indices (p), these, in the limit of a stereoregular polymer chain consisting of a large number (Nq) of cells of length ao, take the form (31) ... 

For the correlation bands obtained by a convolution of many shake-up lines, the size-consistency and size-intensivity requirements imply a convergence towards some asymptotic profile, when going to the polymer limit. This must ideally be achieved through a balance of the scaling properties of the individual shake-up lines, and the dispersion of the intensity of Ih lines over a rapidly increasing number of excited states with increasing system size. 

Finally, we point out that occasionally one observes spectra in which the intensities of the shake-up lines are comparable to, or even greater than, those of the primary lines. For example, such was the case in the Fe 2p spectrum of a sample of KFeS2, obtained by Binder86. ... 

BET areas for reduced catalysts are in parenthesis Catalysts reduced at 1023 K under Hi (33%) in Ar For Co/La ratio measurement all Co signals (reduced, oxidised forms and shake-up lines) were included. 

Different choices of the primary space are shown to remedy the difficulties. In Section IIl.D the 15 to 40 eV photoelectron spectrum for nitrogen, including shake-up lines, is calculated, given the generalized definition of the EOM primary space. The peak intensities as well as peak positions are calculated. 

Section lll.C describes how the inclusion of some of the basis operators from the 3-block in the EOM P-space is important for the calculation of the main peaks in the N2 spectrum. Once this is done, the increased dimensionality of the partitioned EOM matrix leads to the appearance of additional roots of the EOM pseudoeigenvalue problem. If the 3-block basis operators, which are moved to the P-space, correspond to the major components of the ionization operators for the shake-up lines, the new roots of the EOM matrix give the positions of these shake-up peaks. Thus the shake-up energies are naturally produced by the EOM method given our generalized definition of the EOM P space... 

Fig.5.14. ESCA spectrum of atomic mercury exhibiting shake-up lines [5.29]...

One observes the chemical splitting of the Cls line in CH2CH0OH due to the different carbons. In Fig.15 also the valence spectrum or ethanol is recorded. Fig.16 shows that I3 ions are formed in the solution when Nal and I2 are dissolved in ethanol. Each of the I spin 3d components is split in two chemically shifted lines in the intensity ratio of 2 1, provided that the shake-up line is attributed to the externally situated two iodine atoms in the (linear) I ion. 

Figure 16A shows a stackplot of XP spectra of the Cu 2p core regions acquired from these surfaces after AFM imaging. Shake-up features at 945 and 965 eV for the Cu 2p3/2 and 2pi/2 core levels are evident and are diagnostic of an open 3d shell of Cu(+2). The peak positions and relative intensities of the satellites from these levels are indicative of the presence of CuO at the surface. The relative intensities of the shake-up lines to the main core level of both the Cu 2p3/2 and 2pi/2 levels varied as a function of Cu(ac)2 solution concentration. The shake-up intensities denoting CuO on the surface were relatively more intense at higher Cu(ac)2 concentration. 

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