Упругое рассеяние нейтрального фтора на атомах Si, O, C и H в диапазоне относительных кинетических энергий 2-200 eV

Binary interatomic potentials F-F, F-Si, F-O, F-C and F-H are calculated from the first principles (ab initio) on the basis of the multi-configuration method of self-consistent field (CAS-SCF) with a basic set of atomic wave functions aug-pp-AV6Z and are used to calculate phase shifts and cross sections of elastic scattering of atoms in the range of relative kinetic energies 2-200 eV. It is expected that the obtained elastic scattering cross sections will be useful for describing sputtering and etching of porous organosilicate films with ethylene bridges used in modern nanoelectronics.

Trapping-desorption and direct-scattering of formaldehyde at Au(111)

Nonreactive surface scattering of atoms, molecules and clusters can be almost universally described by two mechanisms: trapping-desorption and direct-scattering.