Kondo-lattice–like effects of hydrogen in transition metals
- 15 October 1997
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 56 (16) , 10115-10120
- https://doi.org/10.1103/physrevb.56.10115
Abstract
We discuss the possibility of a Kondo-like effect associated with H in metals, resulting from the strong dependence of the H 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 singletlike 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 band-structure methods to incorporate this correction is responsible for the incorrect prediction of a metallic ground state for the switchable mirror compounds.
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This publication has 11 references indexed in Scilit:
- Theoretical Prediction of the Structure of InsulatingPhysical Review Letters, 1997
- Electronic Structure of Lanthanum Hydrides with Switchable Optical PropertiesPhysical Review Letters, 1997
- Yttrium and lanthanum hydride films with switchable optical propertiesNature, 1996
- Peierls distortion in hexagonalPhysical Review Letters, 1993
- Electron- and hole-hopping amplitudes in a diatomic moleculePhysical Review B, 1993
- Anomalous transfer of spectral weight in doped strongly correlated systemsPhysical Review Letters, 1991
- Electronic structure of yttrium hydride studied by X-ray photoemission spectroscopyJournal of Physics C: Solid State Physics, 1984
- Linear methods in band theoryPhysical Review B, 1975
- Electron correlations in narrow energy bandsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1963
- Localized Magnetic States in MetalsPhysical Review B, 1961