Phys. Rev. Lett. 96, 166401 (2006) [4 pages]Pressure-Induced Metal-Insulator Transition in LaMnO3 Is Not of Mott-Hubbard TypeReceived 15 February 2006; published 27 April 2006 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. © 2006 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.96.166401
DOI:
10.1103/PhysRevLett.96.166401
PACS:
71.30.+h, 71.20.−b, 71.27.+a
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