The Energy Spectrum of Single-Hole States in Transition Metal Oxides |
| A. Lehmann-Szweykowskaa, R.J. Wojciechowskia and G.A. Gehringb a Institute of Physics, A. Mickiewicz Univeresity, Umultowska 85, 61-614 Poznań, Poland b Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH, U.K. |
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| The p-d hybridised single-hole states of the transition-metal-oxygen tetrahedron (TMO4) are collectivised due to the direct p-p hopping between oxygens of different clusters. The lowest-lying energy band is always narrow and fully occupied. The first excited band gets occupied as an effect of valence-uncompensated doping, so it can be almost localised. The possible hole excitations to the two higher energy bands, which are wider, may imply the Mott-like hopping form of charge transport in these systems. |
| DOI: 10.12693/APhysPolA.97.563 PACS numbers: 71.10.Fd, 72.20.-i |