Bonding geometry and H vibrations on W(001).
01 January 1986
The bonding geometry and fundamental H vibrational frequencies for the saturated H coverage phase on W(001) are calculated with the abinitio Linear Augmented Plane Wave (LAPW) method. All 3 mode frequencies agree well with experiment and support earlier EELS mode assignments. The present results suggest a local chemical bonding picture for H adsorption, and are qualitatively consistent with central force constant models.