Аннотация:
Band structure of metallic sodium cobaltate NaxCO2 (x = 0.33, 0.48, 0.61 0.72) has been investigated by local density approximation+Hubbard U (LDA+U) method and within Gutzwiller approximation for the Co-t2g manifold. Correlation effects being taken into account results in suppression of the e′g hole pockets at the Fermi surface in agreement with recent angle-resolved photo-emission spectroscopy (ARPES) experiments. In the Gutzwiller approximation the bilayer splitting is significantly reduced due to the correlation effects. The formation of high spin (HS) state in Co d-shell was shown to be very improbable.
Образец цитирования:
A. Shorikov, M. M. Korshunov, V. I. Anisimov, “Role of electronic correlations in the Fermi surface formation of NaxCoO2”, Письма в ЖЭТФ, 93:2 (2011), 83–87; JETP Letters, 93:2 (2011), 80–85