Shockley surface state of Ag(111)
Posted: Tue Sep 01, 2009 2:58 pm
When I perform Scanning Tunneling Spectroscopy (STS) measurements on Ag(111) to measure the DOS, I find a steep increase of the DOS around -67 mV relative to EF. This is due to the Shockley surface state.
This surface state I want to reproduce using VASP. I made a 7 layer slab and geometrically relaxed it. Afterwards I calculated the DOS with 6001 points between -6 and 6 eV with a SIGMA of 0.01 to have a high energy resolution, but I cannot find an increase in the DOS around -67 mV (or wheresoever). Are there people who have experience calculating the DOS of a Ag(111) slab and retrieving this surface state?
This surface state I want to reproduce using VASP. I made a 7 layer slab and geometrically relaxed it. Afterwards I calculated the DOS with 6001 points between -6 and 6 eV with a SIGMA of 0.01 to have a high energy resolution, but I cannot find an increase in the DOS around -67 mV (or wheresoever). Are there people who have experience calculating the DOS of a Ag(111) slab and retrieving this surface state?