Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3

Details Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3 Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3

2007-01-12

arxiv.org/abs/cond-mat/0701263v1

Physics

Condensed Matter

Strongly Correlated Electrons

Paper I will appear in condmat in two weeks

Scientific paper

10.1103/PhysRevB.76.085127

We present a study of the paramagnetic metallic and insulating phases of vanadium sesquioxide by means of the $N$th order muffin-tin orbital implementation of density functional theory combined with dynamical mean-field theory. The transition is shown to be driven by a correlation-induced enhancement of the crystal field splitting within the $t_{2g}$ manifold, which results in a suppression of the hybridization between the $a_{1g}$ and $e_g^{\pi}$ bands. We discuss the changes in the effective quasi-particle band structure caused by the correlations and the corresponding self-energies. At temperatures of about 400 K we find the $a_{1g}$ orbitals to display coherent quasi-particle behavior, while a large imaginary part of the self-energy and broad features in the spectral function indicate that the $e_g^{\pi}$ orbitals are still far above their coherence temperature. The local spectral functions are in excellent agreement with recent bulk sensitive photoemission data. Finally, we also make a prediction for angle-resolved photoemission experiments by calculating momentum-resolved spectral functions.

Affiliated with

Also associated with

No associations

Rating

Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3 does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3 will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-218021