Dissociation of Ph-3 and AsH3 on Ge(100)(2x1) surface

Katircioglu S.

SURFACE REVIEW AND LETTERS, vol.14, no.3, pp.507-515, 2007 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 14 Issue: 3
  • Publication Date: 2007
  • Doi Number: 10.1142/s0218625x07009451
  • Journal Name: SURFACE REVIEW AND LETTERS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.507-515
  • Keywords: phosphine (PH3), arsine (AsH3), Ge(100)(2x1), adsorption, dissociation, Density Functional Theory (DFT), ELECTRONIC-STRUCTURE, ADSORPTION, GE(001), PH3, RESOLUTION, GEOMETRY, SI(100), GROWTH, STEPS
  • Middle East Technical University Affiliated: Yes

Abstract

The most stable structures for the dissociation of phosphine and arsine on Ge(100)(2x1) surface have been investigated by relative total energy calculations based on Density Functional Theory. It has been found that the thermodynamically preferred structures in the dissociation path of phosphine and arsine are the same; PH2 and AsH2 products prefer to be on a single Ge dimer bond, but PH and AsH prefer to be between the adjacent Ge dimers. According to the optimization calculations, the dissociation path started with the adsorption of PH3(AsH3) on the electron deficient side of the Ge dimer bond is ended with the formation of P-P (As-As) dimers parallel to the dimers of Ge.