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Band gaps and electronic structure of transition-metal compounds

J. ZaanenPhysical Chemistry Department, Material Science Center, University of Groningen, 9747 AG Groningen, The NetherlandsG. A. SawatzkyPhysical Chemistry Department, Material Science Center, University of Groningen, 9747 AG Groningen, The NetherlandsJ. W. AllenPhysical Chemistry Department, Material Science Center, University of Groningen, 9747 AG Groningen, The Netherlands
1985en
ABI

Аннотация

A new theory is presented for describing band gaps and electronic structures of transition-metal compounds. A theoretical phase diagram is presented in which both the metallic sulfides and insulating oxides and halides occur in a quite natural manner.

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