Numerical simulation of scattering of the molecules of yttrium tris(dipivaloymethane) (Y(C11H19O2)3) in the potential field of crystal MgO and the formation of a near-surface layer

I. F. Golovnev, A. P. Kalinina, O. V. Khokhlov, R. V. Belosludov, I. K. Igumenov

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2 Citations (Scopus)

Abstract

In this paper the behavior of molecules of yttrium tris(dipivaloylmethane) (Y(C11H19O2)3) in the potential field of a MgO crystal is reported. The interaction of a molecule with the crystal was modeled by a potential depending on the molecule orientation relative to the crystal surface. A molecule was regarded as a classical gyroscope. The elastic scattering of a molecule by the surface was studied, the method of a classical evolution operator was used for calculation. A significant energy interchange was discovered between translational and rotational degrees of freedom. This process led, in its turn, to the formation of a subangstrom near-surface layer, the characteristics of which differed substantially from those of a gas of molecules outside the region of interaction with the crystal surface.

Original languageEnglish
Pages (from-to)43-49
Number of pages7
JournalThin Solid Films
Volume292
Issue number1-2
DOIs
Publication statusPublished - 1997 Jan 5
Externally publishedYes

Keywords

  • Computer simulation
  • Magnesium oxide
  • Organic substances
  • Yttrium

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry

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