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Pressure-Induced Metal-Insulator Transition in LaMnO3 Is Not of Mott-Hubbard Type

MPS-Authors
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Yamasaki,  A.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Feldbacher,  M.
Department Quantum Many-Body Theory (Walter Metzner), Max Planck Institute for Solid State Research, Max Planck Society;

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Yang,  Y. F.
Department Quantum Many-Body Theory (Walter Metzner), Max Planck Institute for Solid State Research, Max Planck Society;

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Andersen,  O. K.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Held,  K.
Department Quantum Many-Body Theory (Walter Metzner), Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Yamasaki, A., Feldbacher, M., Yang, Y. F., Andersen, O. K., & Held, K. (2006). Pressure-Induced Metal-Insulator Transition in LaMnO3 Is Not of Mott-Hubbard Type. Physical Review Letters, 96(16): 166401.


Cite as: https://hdl.handle.net/21.11116/0000-000F-029B-0
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 e(g) bands. For LaMnO3
to be insulating at pressures below 32 GPa, both on-site Coulomb
repulsion and Jahn-Teller distortion are needed.