Ab initio investigation of the electronic properties of graphene on InAs(111)A


Yelgel C. , Srivastava G. P. , MIWA R. H.

JOURNAL OF PHYSICS-CONDENSED MATTER, cilt.24, sa.48, 2012 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 24 Konu: 48
  • Basım Tarihi: 2012
  • Doi Numarası: 10.1088/0953-8984/24/48/485004
  • Dergi Adı: JOURNAL OF PHYSICS-CONDENSED MATTER

Özet

The equilibrium geometry and electronic structure of graphene on the most stable In-vacancy InAs(111) A surface has been investigated using the density functional and pseudopotential theories. The equilibrium distance between graphene and InAs(111) is found to be 3.05 angstrom with adsorption energy approximately 38 meV/C atom. According to our electronic band calculation, there is a re-distribution of the charge density around the graphene sheet, which leads to the development of a dipole moment along the surface normal. Scanning tunnelling microscopy image simulations suggest that the InAs(111) substrate is visible through the graphene layer.