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

Date

2007-06-01

Author

Katırcıoğlu, Şenay

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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.

Subject Keywords

Materials Chemistry, Surfaces, Coatings and Films, Surfaces and Interfaces, Condensed Matter Physics

URI

https://hdl.handle.net/11511/45977

Journal

SURFACE REVIEW AND LETTERS

DOI

https://doi.org/10.1142/s0218625x07009451

Collections

Department of Physics, Article

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Citation Formats

Ş. Katırcıoğlu, “Dissociation of Ph-3 and AsH3 on Ge(100)(2x1) surface,” SURFACE REVIEW AND LETTERS, pp. 507–515, 2007, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/45977.