Abstract
Photoemission studies of the Pd/H system show a band of hydrogen-induced energy states centered at 1 eV below the bottom of Pd-derived d bands of width 4.4 eV. These results show that the widely accepted simple "proton model" of Pd/H is misleading. Our augmented-plane-wave calculations of PdH, , and H exhibit these lowlying states and also explain why the added number of electrons (0.6) in -phase PdH exceeds the number of -band holes (0.36) in Pd.
- Received 20 May 1971
DOI:https://doi.org/10.1103/PhysRevLett.27.35
©1971 American Physical Society