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1.
J Chem Phys ; 150(5): 054304, 2019 Feb 07.
Artigo em Inglês | MEDLINE | ID: mdl-30736694

RESUMO

We report here triply differential cross sections (TDCSs) for 81 eV electron and positron-impact ionization of the combined (1b1 + 3a1) orbitals of the water molecule by using the second-order distorted wave Born approximation (DWBA2) for ejection electron and positron energies of 5 eV and 10 eV and different momentum transfer conditions. The electron-impact TDCS will be compared with the experimental data measured by Ren et al. [Phys. Rev. A 95, 022701 (2017)] and with the molecular 3-body distorted wave (M3DW) approximation results in the scattering plane as well as the perpendicular plane. The DWBA2 results are in better agreement with the experiment than the M3DW results for the scattering plane, and the M3DW results are somewhat better for the perpendicular plane. This observation is explained in terms of collision interactions. The electron and positron TDCSs are indistinguishable in the scattering plane. In the perpendicular plane, the positron results are similar in shape, but smaller in magnitude. However, the difference reduces with increasing projectile scattering angle and increasing ejected electron energy.

2.
Phys Rev Lett ; 111(2): 027601, 2013 Jul 12.
Artigo em Inglês | MEDLINE | ID: mdl-23889444

RESUMO

By combining x-ray excited Auger electron diffraction experiments and multiple scattering calculations we reveal a layer-resolved shift for the Mg KL23L23 Auger transition in MgO ultrathin films (4-6 Å) on Ag(001). This resolution is exploited to demonstrate the possibility of controlling Mg atom incorporation at the MgO/Ag(001) interface by exposing the MgO films to a Mg flux. A substantial reduction of the MgO/Ag(001) work function is observed during the exposition phase and reflects both band-offset variations at the interface and band bending effects in the oxide film.

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