We investigate the stability of small clusters using density functional theory to compute the total energy, forces, and vibrational frequencies using linear response. We exhibit an efficient and computationally low-cost ...

The electronic states of self-organized Fe nanoislands on a Au(111) surface have been investigated using low-temperature scanning tunneling microscopy and spectroscopy. We show that the local density of states is dominated ...

We have studied the reconstruction of Pt(111) theoretically using a two-dimensional Frenkel-Kontorova model for which all parameters have been obtained from ab initio calculations. We find that the unreconstructed surface ...