Electronic structure of Lanthanum induced pi-bonded Seiwatz chains on the Si(111)-(2 x 3) surface

TAYRAN C.

SURFACE SCIENCE, cilt.679, ss.214-217, 2019 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 679
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1016/j.susc.2018.09.015
  • Dergi Adı: SURFACE SCIENCE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.214-217
  • Anahtar Kelimeler: Density functional theory, Spin-orbit coupling, Surface, Electronic structure, INDUCED RECONSTRUCTIONS, ADSORPTION, DOMAIN, SERIES, EU
  • Gazi Üniversitesi Adresli: Evet

Özet

By using density functional theory, we have studied the atomic and electronic structures of Lanthanum on the chain-like reconstructed Si(111)-(2 x 3) surface with and without spin orbit coupling effect. The Lanthanum atoms are located between the pi-bonded Seiwatz Si-chains at the vicinal region on the surface. The calculated electronic band structure is semiconductor in character and the band gap is calculated value of 0.74 eV. The most of the surface states are related to stabilization of Si dangling bonds by Lanthanum atoms. When including the spin-orbit coupling effect, there is only relatively small splitting in the highest occupied state which is amount of 10.8 meV along the high symmetry points.