Ab initio study of surface stress response to charging

@inproceedings{Umeno2007AbIS,
  title={Ab initio study of surface stress response to charging},
  author={Yoshitaka Umeno and Ch. Elsasser and Bradley Meyer and Peter Gumbsch and Monika Judith Nothacker and Jorg Weissmuller and F. Evers},
  year={2007}
}
We explore an efficient way to numerically evaluate the response of the surface stress of a metal to changes in its superficial charge density by analysis of the strain-dependence of the work function of the uncharged surface. As an application we consider Au(111), (110) and (100) surfaces, employing density functional theory (DFT) calculations. The sign of the calculated response parameter can be rationalized with the dependence of the surface dipole and the Fermi energy on strain. The… CONTINUE READING