English

Kondo--lattice-like effects of hydrogen in transition metals

Strongly Correlated Electrons 2009-10-30 v1

Abstract

We discuss the possibility of a Kondo like effect associated with H in metals resulting from the strong dependence of the H1s orbital radius on the occupation number. We demonstrate that such a strong breathing property of the orbital radius, which translates directly into a strong occupation dependent hopping, results in the formation of local singlet-like bound states involving one electron on H and one on the surrounding metal orbitals. We also show that already at a mean field level an occupation dependent hopping integral leads to a substantial potential energy correction on hydrogen, and that the failure of LDA to incorporate this correction is probably responsible for the incorrect prediction of a metallic ground state for the YH3 switchable mirror compounds.

Keywords

Cite

@article{arxiv.cond-mat/9704077,
  title  = {Kondo--lattice-like effects of hydrogen in transition metals},
  author = {R. Eder and H. F. Pen and G. A. Sawatzky},
  journal= {arXiv preprint arXiv:cond-mat/9704077},
  year   = {2009}
}

Comments

Revtex file, 6 PRB pages with 8 included eps figures, hardcopies of figures (or the entire manuscript) may be obtained by e-mail request to [email protected]