Quantum-well states for uniform Ag layers on the Ga-induced Si (111)-(root 3 x root 3)R30 degrees surface

TAYRAN C., ÇAKMAK M., Srivastava G. P.

SURFACE SCIENCE, cilt.701, 2020 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 701
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1016/j.susc.2020.121684
  • Dergi Adı: SURFACE SCIENCE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, PASCAL, Aerospace Database, Chimica, Communication Abstracts, Compendex, INSPEC, Metadex, Civil Engineering Abstracts
  • Gazi Üniversitesi Adresli: Evet

Özet

The atomic and electronic structures are calculated for atomically uniform Ag layers on the Ga-induced Si(111)-(root 3 x root 3)R30 degrees surface by using the Density Functional Theory. It is found that when the amount of Ag atoms increases on the 1/3 monolayer Ga-induced Si(111)-(root 3 x root 3)R30 degrees surface, the equilibrium T-4 adsorption site of Ga atom changes to the T-1 site. We have determined a single covalent bond between Ga and Si atoms but there is some charge accumulation on the Ga-Ag layer, turning the surface to metallic nature. For 10 Ag monolayers, we have determined evolution of several quantum-well states within the energy range of 1 eV below the Fermi level. The energy separation between the quantum well states increases as their numbers develop below the Fermi level. The Ag film quantum-well states show in-plane parabolic dispersion, with splittings arising due to Umklapp features related to the Si(111)-(1 x 1) surface Brillouin zone. We have also identified Shockley type surface states, which show small Rashba-type spin-orbit splitting.