Pressure-induced metal-insulator transition in LaMnO3 is not of Mott-Hubbard type.
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.
Yamasaki
A
A
Max-Planck Institut für Festkörperforschung, D-70569 Stuttgart, Germany.
Feldbacher
M
M
Yang
Y-F
YF
Andersen
O K
OK
Held
K
K