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The vanadium Magnéli phases V n O 2 n ‐1
Author(s) -
Schwingenschlögl U.,
Eyert V.
Publication year - 2004
Publication title -
annalen der physik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.009
H-Index - 68
eISSN - 1521-3889
pISSN - 0003-3804
DOI - 10.1002/andp.200410099
Subject(s) - vanadium , vanadium dioxide , sesquioxide , chemical physics , materials science , crystal structure , crystal (programming language) , chemistry , crystallography , computer science , nanotechnology , thin film , programming language , metallurgy
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 .