3 papers
cond-mat.mtrl-sci2002
First principles study of the Si(557)-Au surface
Daniel Sanchez-Portal, Richard M. Martin
We have performed a density functional study of fifteen different structural models of the Si(557)-Au surface reconstruction. Here we present a brief summary of the main structural…
cond-mat.mtrl-sci2002
Van der Waals contribution to the inelastic atom-surface scattering
Maider Machado, Daniel Sanchez-Portal
A calculation of the inelastic scattering rate of Xe atoms on Cu(111) is presented. We focus in the regimes of low and intermediate velocities, where the energy loss is mainly asso…
physics.chem-ph1999
Density functional calculations of planar DNA base-pairs
Maider Machado, Pablo Ordejon, Emilio Artacho +2
We present a systematic Density Functional Theory (DFT) study of geometries and energies of the nucleic acid DNA bases (guanine, adenine, cytosine and thymine) and 30 different DNA…