Efeito de absorção em espalhamento de elétrons por molécula de formaldeido
Ferraz, Jorge Ronan
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This master's project's main objective is to study the effects of absorption in the elastic scattering of electrons by molecules of formaldehyde (CH2O). We calculated differential cross sections (SCD), integral cross sections (SCI) and cross sections for momentum transfer (SCTM) for elastic scattering and total cross sections (SCT) and cross sections of total absorption (SCAT) for incident electron energies in the range 0.2 to 500 eV. The absorption effects were included using a complex optical potential to describe electron-molecule interaction. The imaginary part of this potential corresponds to an absorption potential. In our calculations the potential to absorb a potential model used was proposed by our group in 2007 and known in literature as SQFSM (scaled quasi-free scattering model). This optical potential was used in the numerical solution of the Lippmann-Schwinger equation to obtain the wave functions of the continuum describing the incident and scattered electrons, which are used to calculate scattering amplitudes and the corresponding cross sections. The numerical solution was obtained by the technique of Padé approximants of the combined use of the method of partial wave expansion. The strong permanent electric dipole of the target leads to a well-known difficulty of convergence of these expansions, outlined in our study by using the technique of complementation using the First Born approximation. Our results highlight the importance of including absorption effects in the study of elastic e--CH2O collisions. In general, such effects are associated with loss of elastically scattered electrons flow due to the opening of inelastic processes that compete with the elastic process. So they arise whenever the incident electron energy is sufficient to excite electronically the target, but its relevance to the elastic process depends on the target under study. In the case of formaldehyde molecule, the energy for the first excited state (ã3A2) is 3.45 eV and the first ionization potential is 10.88 eV. Despite these values, our calculations show that the inclusion of the absorption potential for does not significantly alter the values of the various cross section to energies up to 15 eV, but from this value leads to a reduction in the values of SCD, such reduction grows with energy until the range between 100 and 200 eV, which reaches about 50% and decreases for energies above them. viii Our results were compared with several theoretical and experimental results available in literature. Unfortunately the only published experimental reports measurements of SCD in the range 0.4 to 2.6 eV. On the other hand, there are several theoretical studiies published that report cross sections for energies up to 80 eV. In general our results agree well with literature data.