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Pressure-Induced Metal-Insulator Transition in LaMnO 3 Is Not of Mott-Hubbard Type

2006; American Physical Society; Volume: 96; Issue: 16 Linguagem: Inglês

10.1103/physrevlett.96.166401

ISSN

1092-0145

Autores

A. Yamasaki, M. Feldbacher, Yi‐feng Yang, O. K. Andersen, Karsten Held,

Tópico(s)

Advanced Condensed Matter Physics

Resumo

Calculations employing the local density approximation combined with static and dynamical mean field theories (LDA+U and LDA+DMFT) indicate that the metal-insulator transition observed at 32 GPa in paramagnetic LaMnO3 at room temperature is not a Mott-Hubbard transition, but is caused by orbital splitting of the majority-spin eg bands. For LaMnO3 to be insulating at pressures below 32 GPa, both on-site Coulomb repulsion and Jahn-Teller distortion are needed.

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