Using helium atom scattering Hulpke and L"udecke recently observed a giant phonon anomaly for the hydrogen covered W(110) and Mo(110) surfaces. An explanation which is able to account for this and other experiments is still lacking. Below we present density-functional theory calculations of the atomic and electronic structure of the clean and hydrogen-covered Mo(110) surfaces. For the full adsorbate monolayer the calculations provide evidence for a strong Fermi surface nesting instability. This explains the observed anomalies and resolves the apparent inconsistencies of different experiments.
@article{arxiv.mtrl-th/9411003,
title = {Frustrated H-Induced Instability of Mo(110)},
author = {B. Kohler and P. Ruggerone and S. Wilke and M. Scheffler},
journal= {arXiv preprint arXiv:mtrl-th/9411003},
year = {2009}
}