First-principles study of localized and delocalized electronic states in crystallographic shear phases of niobium oxide
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Abstract
Crystallographic shear phases of niobium oxide form an interesting family of
compounds that have received attention both for their unusual electronic and
magnetic properties, as well as their performance as intercalation electrode
materials for lithium-ion batteries. Here, we present a first-principles
density-functional theory study of the electronic structure and magnetism of
H-Nb
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2469-9969
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EPSRC (1984630)