Pressure-induced metal-insulator transition in LaMnO3 is not of Mott-Hubbard type

Details Pressure-induced metal-insulator transition in LaMnO3 is not of Mott-Hubbard type Pressure-induced metal-insulator transition in LaMnO3 is not of Mott-Hubbard type

2006-02-15

arxiv.org/abs/cond-mat/0602358v2

Phys. Rev. Lett. 96, 166401 (2006)

Physics

Condensed Matter

Strongly Correlated Electrons

4 pages, 3 figures

Scientific paper

10.1103/PhysRevLett.96.166401

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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