Pressure-induced metal-insulator transition in LaMnO3 is not of Mott-Hubbard type
arXiv:cond-mat/0602358 · doi:10.1103/PhysRevLett.96.166401
Abstract
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.
4 pages, 3 figures