Band gaps and electronic structure of transition-metal compounds

J. Zaanen; G. A. Sawatzky; J. W. Allen

doi:10.1103/PhysRevLett.55.418

Band gaps and electronic structure of transition-metal compounds

J. Zaanen, G. A. Sawatzky, and J. W. Allen

Phys. Rev. Lett. 55, 418 – Published 22 July 1985

Abstract

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.