Abstract
The electronic structure of the clean MoS2(0001) surface and its modification with several point defects was studied. The constant current scanning tunneling microscopy (STM) images and spectroscopic I vs V curves using the Tersoff-Hamann approximation were also calculated. It was found that when a S vacancy was present on the surface, gap state appears with weight mostly on the Mo atoms of the second layer and on the S atoms surrounding the vacancy. It was observed that the substitutional atoms of complete d band (Pd and Au) do not present magnetic polarization and slightly modify the density of states (DOS) near the Fermi energy.
| Original language | English (US) |
|---|---|
| Article number | 026802 |
| Pages (from-to) | 268021-268024 |
| Number of pages | 4 |
| Journal | Physical review letters |
| Volume | 92 |
| Issue number | 2 |
| State | Published - Jan 16 2004 |
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)