Frustrated H-Induced Instability of Mo(110)

Preprint

14 November 1994

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.mtrl-th/9411003

Abstract

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.

Keywords

All Related Versions

Version 1, 1994-11-14, ArXiv
Version 1, 1995-02-13, ArXiv (Unconfirmed version)
Published version: Physical Review Letters, 74 (8), 1387.

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