Pressure-Induced Metal-Insulator Transition inIs Not of Mott-Hubbard Type
- 27 April 2006
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 96 (16) , 166401
- https://doi.org/10.1103/physrevlett.96.166401
Abstract
Calculations employing the local density approximation combined with static and dynamical mean field theories ( and ) indicate that the metal-insulator transition observed at 32 GPa in paramagnetic at room temperature is not a Mott-Hubbard transition, but is caused by orbital splitting of the majority-spin bands. For to be insulating at pressures below 32 GPa, both on-site Coulomb repulsion and Jahn-Teller distortion are needed.
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