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Theoretical Study of the Electron Exchange between a Metal Surface and a Hydrogen Atom in the Excited p Stateстатья
- Авторы: Moskalenko S.S., Gainullin I.K.
- Журнал: Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques
- Том: 1
- Год издания: 2023
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 298
- Последняя страница: 306
- DOI: 10.1134/S1027451022060155
- Аннотация: In this paper we numerically study some features of the charge transfer between ions and the metal surface, due to its atomic structure. Our simulation is based on a three-dimensional implementation of the wave packet propagation method. The simulated system consisted of an Al(110) metal surface and an excited hydrogen atom in the P-state, which does not have spherical symmetry. After solving the "static" problem, it was shown that electron exchange is more efficient when the P-orbital is oriented along the axis perpendicular to the surface, rather than parallel. Also, analysis of the obtained data showed that the atomic population function of time has an exponential decay. The solution of the “dynamic” problem shows that for an excited hydrogen atom moving along the metal surface, the electron exchange does not depend on the orientation of the P-orbital directed parallel or perpendicular to the velocity of the atom. Study of the charge transfer dynamics with a surface makes it possible to observe, for P orbitals directed along the X and Y axes, the separation of the electron density passing to the surface into two parts, which diverge relative to the plane of symmetry.
- Добавил в систему: Гайнуллин Иван Камилевич