Electronic Structure of Lanthanum Hydrides with Switchable Optical Properties
K. K. Ng, F. C. Zhang, V. I. Anisimov, T. M. Rice
Abstract
Recent dramatic changes in the optical properties of LaH2+x and YH2+x films discovered by Huiberts et al. suggest their electronic structure is described best by a local model. Electron correlation is important in H- -centers and in explaining the transparent insulating behavior of LaH3. The metal-insulator transition at x 0.8 takes place in a band of highly localized states centered on the H-vacancies in the LaH3 structure.
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