No abstract

LiCoO& can be vie~ed as the end member of the Li-doped Li"Co, "0, system. It was suggested that this system exhibits a transition from high-spin Co ions in CoO to low-spin Co ions in LiCo02. We present a systematic study of the electronic properties of LiCoOz based on a density-functional calculation. From a good agreement between the theoretical results and the results of various spectroscopies (x-ray photoemission spectroscopy, bremsstrahlung isochromat spectroscopy, and x-ray absorption spectroscopy) we conclude that a one-particle band-structure approach is basically adequate for LiCo02 (while being still controversial for CoO) and we support the conclusion of low-spin Co ions in this cornpound.