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 spl...

Full description

Saved in:
Bibliographic Details
Published inPhysical review letters Vol. 96; no. 16; p. 166401
Main Authors Yamasaki, A, Feldbacher, M, Yang, Y-F, Andersen, O K, Held, K
Format Journal Article
LanguageEnglish
Published United States 28.04.2006
Online AccessGet more information

Cover

More Information
Summary: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.
ISSN:0031-9007
DOI:10.1103/PhysRevLett.96.166401