A First Principles Density Functional Study of Au Deposition on TiN ( 001 ) Surface Norge

@inproceedings{Hernndez2003AFP,
  title={A First Principles Density Functional Study of Au Deposition on TiN ( 001 ) Surface Norge},
  author={C M Alonso Hern{\'a}ndez},
  year={2003}
}
The structure and local electron properties of Au atoms deposited on the TiN (001) surface has been theoretically analyzed using a periodic slab model and density functional based calculations. The surface is described by means of a 2x2 cell five layers thick, on which gold atoms are added. Deposition of single atoms on the surface, (θ = 0.25 ML), shows that the preferred site is on-top of Ti atoms, with a metal-surface distance of 2.49 Å. The computed adsorption energy for this site is -1.92… CONTINUE READING