International Journal of Hydrogen Energy, Vol.29, No.5, 497-500, 2004
Density of states induced by a hydrogenic impurity in a metal
In this work, we present a parametrization of the density of states induced by a hydrogenic impurity in a metal that is described by a jellium. The parametrization has the most important features of the induced density of states (I-DOS). Among others, it includes the l = 0 shallow doubly occupied bound state observed at low jellium densities when r(s) is higher than the binding value r(s,B), and is consistent with the charge pile-up around the hydrogen due to the non-linear screening. It also addresses the infinite discontinuity in the l = 0 I-DOS at the bottom of the band when r(s) exceeds r(s,B). Our results compare well with other calculations, including more sophisticated ones that include spin-polarized and many-body calculations. Many applications may take advantage of the tractability of this parametrization, as a reference or for specific calculations. (C) 2003 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.