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Electronic structure and bonding in metal hydrides, studied with photoelectron spectroscopy

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Zeitschrift für Physik B Condensed Matter

Abstract

We present photoemission spectra of various binary and ternary metal hydrides and of some intermetallic compounds. An analysis of these data with respect to the known heats of hydrogen solution in the metals demonstrates two important properties of the metal-hydrogen bond: First we find that core level, shifts in ternary systems are not simply related to those in binary ones. In contrast to a frequently used assumption, metal-hydrogen interaction in a ternary hydride cannot be a pair interaction between the atomic constituents. Secondly, we find from our studies of the valence band spectra of some intermetallic compounds an inverse correlation between the heat of hydrogen solution and the density of states at the Fermi level.

We analyse the core level shift data from binary hydrides using the experimental heats of hydrogen solution. We find a very good agreement between calculated and measured core level shifts in transition metal hydrides. However, in rare earth hydrides our approach fails. The reason for this behaviour originates in the photoemission process itself. A thermochemical interpretation of core level shifts can only be successful in the adiabatic limit of core excitation. The systematic behaviour of our results can be explained, if core excitation is considered to be adiabatic in transition metal hydrides but sudden in the rare earth hydrides. We also discuss the impact of such an interpretation on the concepts of adiabatic and sudden core excitation in metals.

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  1. T. Riesterer

    Present address: IBM Research, Zürich Research Laboratory, Säumerstrasse 4, CH-8803, Rüschlikon, Switzerland

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  1. Laboratorium für Festkörperphysik, Eidgenössische Technische Hochschule, Zürich, Switzerland

    T. Riesterer

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Riesterer, T. Electronic structure and bonding in metal hydrides, studied with photoelectron spectroscopy. Z. Physik B - Condensed Matter 66, 441–458 (1987). https://doi.org/10.1007/BF01303894

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