科研之友
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摘要
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.
- 出版日期2012-12-5
