Ambiguity in B-Site cation ordering: A Case study of the double perovskite Ca2CoNbO6
Abstract
The ordering of cations in the B sublattice remains a challenging issue in double perovskites. In this work, a combined experimental and theoretical approach was employed to investigate the Co/Nb distribution in Ca2CoNbO6 and its influence on magnetic and transport properties. The density functional theory, supported by magnetic susceptibility measurements, indicates that Co adopts a high-spin Co3+ state. No long-range magnetic ordering was observed down to low temperatures; however, the presence of short-range correlations points to the partial disorder in the Co/Nb sublattice. This interpretation is further supported by electron paramagnetic resonance, which also reveals slight oxygen nonstoichiometry. Electrical transport follows a small-polaron hopping mechanism with an activation energy of 0.25 eV. The Seebeck coefficient reaches 0.4 mV/K at 600 K.
Turn this paper into a full lesson
ArcXiv compiles a staged curriculum from this paper: 8-12 lessons across beginner → advanced, synthesised section guides, visuals, flashcards, a quiz, exercises, and on-demand deep dives per section. Grounded in the abstract, never invented.