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

Katircioglu S.

SURFACE REVIEW AND LETTERS, cilt.14, sa.3, ss.507-515, 2007 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 14 Sayı: 3
  • Basım Tarihi: 2007
  • Doi Numarası: 10.1142/s0218625x07009451
  • Dergi Adı: SURFACE REVIEW AND LETTERS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.507-515
  • Anahtar Kelimeler: 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
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

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.