2004/06/23 by U. Schwingenschlögl, Udo Schwingenschlögl, V. Eyert +1 · 2 citations
Materials Science · Chemical Engineering · Physics and Astronomy · #Transition Metal Oxide Nanomaterials #Catalysis and Oxidation Reactions #Advanced Condensed Matter Physics
paper · doi:10.1002/andp.20045160901
Abstract To compare the metal‐insulator transitions (MITs) of VO 2 and V 2 O 3 we analyze the relations between the structural and electronic properties of the vanadium Magnéli phases. These materials set up the homologous series V n O 2 n ‐1 (3 ≤ n ≤ 9) and have crystal structures comprising typical dioxide‐like and sesquioxide‐like regions. As the MITs of the vanadium Magnéli phases are accompanied by structural transformations, we are able to discuss the effects of characteristic changes in the local atomic environments. The systematic investigation of the transport properties is based on a new and unifying description of the crystal structures of the Magnéli phases including VO 2 and V 2 O 3 . Our results lead to a comprehensive understanding of the MITs in the Magnéli class and shed new light on the role of particular electronic states for the MIT of V 2 O 3 .