Abstract
Trends in the electronic structure of the spinel-type manganese oxide Li1 + xMn2 −
xO4, 0 ≤
x
≤ 1/4, are studied using the LMTO–ASA method. The stability of the system is discussed in terms of composition (x) and the position of lithium in the structure; the influence of the latter on the total valence energy and the density-of-states (DOS) is also probed systematically. The "extra" lithium atoms are shown to